2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide

C13H19N3O2 — CID 114326678

IUPAC2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC2(O)CCCC2)ccn1
InChIInChI=1S/C13H19N3O2/c14-8-11-7-10(3-6-15-11)12(17)16-9-13(18)4-1-2-5-13/h3,6-7,18H,1-2,4-5,8-9,14H2,(H,16,17)
InChIKeyPEMYGVVBTPJWJV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.58
Rot. Bonds4

About 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 114326678) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID114326678
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC2(O)CCCC2)ccn1
InChIInChI=1S/C13H19N3O2/c14-8-11-7-10(3-6-15-11)12(17)16-9-13(18)4-1-2-5-13/h3,6-7,18H,1-2,4-5,8-9,14H2,(H,16,17)
InChIKeyPEMYGVVBTPJWJV-UHFFFAOYSA-N
XLogP0.58
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433612
2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
CID 104844550
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
CID 111597214
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide (CID 114326678) is 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide is NCc1cc(C(=O)NCC2(O)CCCC2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is PEMYGVVBTPJWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-8-11-7-10(3-6-15-11)12(17)16-9-13(18)4-1-2-5-13/h3,6-7,18H,1-2,4-5,8-9,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).