2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide

C13H19N3O — CID 55042070

IUPAC2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccnc(N)c2)C1
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-11(7-9)16-13(17)10-5-6-15-12(14)8-10/h5-6,8-9,11H,2-4,7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyWMEPFQYQWWRFFO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds2

About 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide

2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 55042070) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID55042070
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccnc(N)c2)C1
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-11(7-9)16-13(17)10-5-6-15-12(14)8-10/h5-6,8-9,11H,2-4,7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyWMEPFQYQWWRFFO-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-amino-N-cyclopentylpyridine-4-carboxamide
CID 62154850
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
CID 43912271

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide (CID 55042070) is 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide is CC1CCCC(NC(=O)c2ccnc(N)c2)C1.
What is the InChIKey of 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is WMEPFQYQWWRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-2-4-11(7-9)16-13(17)10-5-6-15-12(14)8-10/h5-6,8-9,11H,2-4,7H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 55042070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).