2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide

C13H20N4O — CID 114770110

IUPAC2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(NC2CCCC2CN)n1
InChIInChI=1S/C13H20N4O/c1-8-5-10(13(15)18)6-12(16-8)17-11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyUOXWAKZJKRGOKZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds4

About 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide

2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide (PubChem CID 114770110) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
PubChem CID114770110
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(NC2CCCC2CN)n1
InChIInChI=1S/C13H20N4O/c1-8-5-10(13(15)18)6-12(16-8)17-11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyUOXWAKZJKRGOKZ-UHFFFAOYSA-N
XLogP1.03
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66285311
2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767568
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 114765433
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
N-[2-(aminomethyl)cyclopentyl]-5-tert-butylpyridin-2-amine
CID 114011644
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
CID 114765509
N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
CID 114869559
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
CID 112727442

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide (CID 114770110) is 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide is Cc1cc(C(N)=O)cc(NC2CCCC2CN)n1.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide?
The InChIKey is UOXWAKZJKRGOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-5-10(13(15)18)6-12(16-8)17-11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7,14H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide?
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 114770110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).