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Chemical ID: 6481485
Chemical ID:
6481485
Name [?]:
2,6-dichloro-N-[4-[cyclopropyl-(1-propyl-4-piperidyl)-carbamoyl]phenyl]-pyridine-4-carboxamide
SMILES [?]:
CCCN1CCC(CC1)N(C2CC2)C(=O)c3ccc(cc3)NC(=O)c4cc(nc(c4)Cl)Cl
InChi [?]:
InChI=1/C24H28Cl2N4O2/c1-2-11-29-12-9-20(10-13-29)30(19-7-8-19)24(32)16-3-5-18(6-4-16)27-23(31)17-14-21(25)28-22(26)15-17/h3-6,14-15,19-20H,2,7-13H2,1H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,18,20,12,13,6,8,3,5,9,26,30,16,25,19,11,7,27,29,23,14,32,31,22,28,4,10,24,15/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(21,22)(25,26)/rA:32nCCCNCCCCCNCCCCOCCCCCCNCOCCCNCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s11s12;s10;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28Cl2N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2141 |
Area: | 708.031 |
Solvation: | -3.48672 |
Coulombic: | -50.0398 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 475.41 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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