N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide

C20H22N4O — CID 145152905

IUPACN-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2NCC2CCCCC2)cc1
InChIInChI=1S/C20H22N4O/c21-13-15-8-10-17(11-9-15)24-20(25)18-7-4-12-22-19(18)23-14-16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,14H2,(H,22,23)(H,24,25)
InChIKeyYKLAIFRXDZZKRV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.20
Rot. Bonds5

About N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide

N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide (PubChem CID 145152905) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide
PubChem CID145152905
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2NCC2CCCCC2)cc1
InChIInChI=1S/C20H22N4O/c21-13-15-8-10-17(11-9-15)24-20(25)18-7-4-12-22-19(18)23-14-16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,14H2,(H,22,23)(H,24,25)
InChIKeyYKLAIFRXDZZKRV-UHFFFAOYSA-N
XLogP4.20
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide
CID 145152864
2-(piperidin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122516005
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide
CID 145152890
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
2-(cyclopropylmethylamino)-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridine-3-carboxamide
CID 58396445
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide (CID 145152905) is N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cccnc2NCC2CCCCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
The InChIKey is YKLAIFRXDZZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-13-15-8-10-17(11-9-15)24-20(25)18-7-4-12-22-19(18)23-14-16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,14H2,(H,22,23)(H,24,25).
What are the key properties of N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 145152905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).