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

C14H21N3O — CID 114325626

IUPAC2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccnc(CN)c2)C1
InChIInChI=1S/C14H21N3O/c1-10-3-2-4-12(7-10)17-14(18)11-5-6-16-13(8-11)9-15/h5-6,8,10,12H,2-4,7,9,15H2,1H3,(H,17,18)
InChIKeyVGKVLPSBQVIYNA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.85
Rot. Bonds3

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

2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 114325626) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID114325626
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccnc(CN)c2)C1
InChIInChI=1S/C14H21N3O/c1-10-3-2-4-12(7-10)17-14(18)11-5-6-16-13(8-11)9-15/h5-6,8,10,12H,2-4,7,9,15H2,1H3,(H,17,18)
InChIKeyVGKVLPSBQVIYNA-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114548800
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide (CID 114325626) is 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide is CC1CCCC(NC(=O)c2ccnc(CN)c2)C1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is VGKVLPSBQVIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-3-2-4-12(7-10)17-14(18)11-5-6-16-13(8-11)9-15/h5-6,8,10,12H,2-4,7,9,15H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).