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Chemical ID: 7518934
Chemical ID:
7518934
Name [?]:
N-(4-methoxyphenyl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2cccnc2N3CCCC3
InChi [?]:
InChI=1/C17H19N3O2/c1-22-14-8-6-13(7-9-14)19-17(21)15-5-4-10-18-16(15)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,14,13,5,7,4,8,15,19,22,6,3,12,17,10,16,9,18,11,2/E:(2,3)(6,7)(8,9)(11,12)/rA:22nCOCCCCCCNCOCCCCNCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O2 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.88265 |
Area: | 490.576 |
Solvation: | -4.38174 |
Coulombic: | -39.1079 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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