2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide

C14H21N3O — CID 107418474

IUPAC2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H21N3O/c1-10-3-2-4-12(10)9-17-14(18)11-5-6-16-13(7-11)8-15/h5-7,10,12H,2-4,8-9,15H2,1H3,(H,17,18)
InChIKeyGULLSCNFODSXMI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.71
Rot. Bonds4

About 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 107418474) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID107418474
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H21N3O/c1-10-3-2-4-12(10)9-17-14(18)11-5-6-16-13(7-11)8-15/h5-7,10,12H,2-4,8-9,15H2,1H3,(H,17,18)
InChIKeyGULLSCNFODSXMI-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416397
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-4-carboxamide
CID 114326143
6-hydrazinyl-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107420650
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide (CID 107418474) is 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide is CC1CCCC1CNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is GULLSCNFODSXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-3-2-4-12(10)9-17-14(18)11-5-6-16-13(7-11)8-15/h5-7,10,12H,2-4,8-9,15H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107418474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).