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Chemical ID: 7096737
Chemical ID:
7096737
Name [?]:
N-(2-carbamoylphenyl)-2-(1-piperidyl)pyridine-3-carboxamide
SMILES [?]:
c1ccc(c(c1)C(=O)N)NC(=O)c2cccnc2N3CCCCC3
InChi [?]:
InChI=1/C18H20N4O2/c19-16(23)13-7-2-3-9-15(13)21-18(24)14-8-6-10-20-17(14)22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-12H2,(H2,19,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:22,1,2,21,23,15,6,14,3,16,20,24,5,13,4,7,18,11,9,17,10,19,8,12/E:(4,5)(11,12)/rA:24nCCCCCCCONNCOCCCCNCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N4O2 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42876 |
Area: | 509.433 |
Solvation: | -3.30707 |
Coulombic: | -59.2004 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.377 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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