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

C14H21N3O — CID 114326567

IUPAC2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H21N3O/c1-17(10-11-4-2-3-5-11)14(18)12-6-7-16-13(8-12)9-15/h6-8,11H,2-5,9-10,15H2,1H3
InChIKeyWGAMTMOPNDSDRE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.80
Rot. Bonds4

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

2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide (PubChem CID 114326567) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
PubChem CID114326567
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H21N3O/c1-17(10-11-4-2-3-5-11)14(18)12-6-7-16-13(8-12)9-15/h6-8,11H,2-5,9-10,15H2,1H3
InChIKeyWGAMTMOPNDSDRE-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62244049
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide
CID 115117058
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320
[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
CID 116601749
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
CID 113277656
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide (CID 114326567) is 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide is CN(CC1CCCC1)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is WGAMTMOPNDSDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(10-11-4-2-3-5-11)14(18)12-6-7-16-13(8-12)9-15/h6-8,11H,2-5,9-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide?
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114326567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).