6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide

C17H16N4O — CID 167759595

IUPAC6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
SMILESN#Cc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C17H16N4O/c18-9-12-1-3-13(4-2-12)10-19-16-8-5-14(11-20-16)17(22)21-15-6-7-15/h1-5,8,11,15H,6-7,10H2,(H,19,20)(H,21,22)
InChIKeyUZMHDFYJAZORAX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.46
Rot. Bonds5

About 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide

6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 167759595) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
PubChem CID167759595
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
SMILESN#Cc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C17H16N4O/c18-9-12-1-3-13(4-2-12)10-19-16-8-5-14(11-20-16)17(22)21-15-6-7-15/h1-5,8,11,15H,6-7,10H2,(H,19,20)(H,21,22)
InChIKeyUZMHDFYJAZORAX-UHFFFAOYSA-N
XLogP2.46
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 167933726
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 167906219
N-cyclopropyl-6-(1,3-oxazol-5-ylmethylamino)pyridine-3-carboxamide
CID 167750031
N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide
CID 166293592
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclopropyl-6-[(1-fluorocyclobutyl)methylamino]pyridine-3-carboxamide
CID 167907269
N-cyclopentyl-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 1447863
N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158626

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide (CID 167759595) is 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide is N#Cc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1.
What is the InChIKey of 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is UZMHDFYJAZORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-9-12-1-3-13(4-2-12)10-19-16-8-5-14(11-20-16)17(22)21-15-6-7-15/h1-5,8,11,15H,6-7,10H2,(H,19,20)(H,21,22).
What are the key properties of 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide?
6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 167759595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).