3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide

C12H18N4O2 — CID 119137849

IUPAC3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1CCCCC1O
InChIInChI=1S/C12H18N4O2/c13-11-10(14-5-6-15-11)12(18)16-7-8-3-1-2-4-9(8)17/h5-6,8-9,17H,1-4,7H2,(H2,13,15)(H,16,18)
InChIKeyQOYQDIWEPFCPLQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.34
Rot. Bonds3

About 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide

3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide (PubChem CID 119137849) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
PubChem CID119137849
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1CCCCC1O
InChIInChI=1S/C12H18N4O2/c13-11-10(14-5-6-15-11)12(18)16-7-8-3-1-2-4-9(8)17/h5-6,8-9,17H,1-4,7H2,(H2,13,15)(H,16,18)
InChIKeyQOYQDIWEPFCPLQ-UHFFFAOYSA-N
XLogP0.34
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(cyclobutylmethyl)pyrazine-2-carboxamide
CID 38654065
3-amino-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide;dihydrochloride
CID 119509819
4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide
CID 99778357
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64927605
3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672
2-(5-amino-2-pyridinyl)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 120634591
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide (CID 119137849) is 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC1CCCCC1O.
What is the InChIKey of 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide?
The InChIKey is QOYQDIWEPFCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11-10(14-5-6-15-11)12(18)16-7-8-3-1-2-4-9(8)17/h5-6,8-9,17H,1-4,7H2,(H2,13,15)(H,16,18).
What are the key properties of 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide?
3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119137849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).