N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide

C22H16N4O — CID 156768799

IUPACN-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide
SMILESN#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc12
InChIInChI=1S/C22H16N4O/c23-12-18-15-26(14-16-5-2-1-3-6-16)21-9-8-19(11-20(18)21)25-22(27)17-7-4-10-24-13-17/h1-11,13,15H,14H2,(H,25,27)
InChIKeyJECPMPMILMSZLW-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.21
Rot. Bonds4

About N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide

N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide (PubChem CID 156768799) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide
PubChem CID156768799
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC NameN-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide
SMILESN#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc12
InChIInChI=1S/C22H16N4O/c23-12-18-15-26(14-16-5-2-1-3-6-16)21-9-8-19(11-20(18)21)25-22(27)17-7-4-10-24-13-17/h1-11,13,15H,14H2,(H,25,27)
InChIKeyJECPMPMILMSZLW-UHFFFAOYSA-N
XLogP4.21
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide
CID 156768782
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
CID 131941265
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide (CID 156768799) is N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide is N#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc12.
What is the InChIKey of N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide?
The InChIKey is JECPMPMILMSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c23-12-18-15-26(14-16-5-2-1-3-6-16)21-9-8-19(11-20(18)21)25-22(27)17-7-4-10-24-13-17/h1-11,13,15H,14H2,(H,25,27).
What are the key properties of N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide?
N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 156768799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).