Chemical ID: 7518931

c1ccc(cc1)NC(=O)c2cccnc2N3CCCC3
Chemical ID:
7518931
Name [?]:
N-phenyl-2-pyrrolidin-1-yl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2cccnc2N3CCCC3
InChi [?]:
InChI=1/C16H17N3O/c20-16(18-13-7-2-1-3-8-13)14-9-6-10-17-15(14)19-11-4-5-12-19/h1-3,6-10H,4-5,11-12H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,12,3,5,11,13,17,20,4,10,15,8,14,7,16,9/E:(2,3)(4,5)(7,8)(11,12)/rA:20nCCCCCCNCOCCCCNCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O
All Atoms:37
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:8.32184
Area:452.664
Solvation:-2.99476
Coulombic:-33.0567
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.18
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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