2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide

C14H21N3O — CID 86223211

IUPAC2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(CN)c1)C1CCCCC1
InChIInChI=1S/C14H21N3O/c1-17(13-5-3-2-4-6-13)14(18)11-7-8-16-12(9-11)10-15/h7-9,13H,2-6,10,15H2,1H3
InChIKeyNALGIDMGZULPQN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.95
Rot. Bonds3

About 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide

2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide (PubChem CID 86223211) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
PubChem CID86223211
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(CN)c1)C1CCCCC1
InChIInChI=1S/C14H21N3O/c1-17(13-5-3-2-4-6-13)14(18)11-7-8-16-12(9-11)10-15/h7-9,13H,2-6,10,15H2,1H3
InChIKeyNALGIDMGZULPQN-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
CID 116601749
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116084
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
CID 113277656
N-cyclopropyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62168437
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide (CID 86223211) is 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(CN)c1)C1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide?
The InChIKey is NALGIDMGZULPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(13-5-3-2-4-6-13)14(18)11-7-8-16-12(9-11)10-15/h7-9,13H,2-6,10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide?
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 86223211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).