6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide

C9H12ClN3O2 — CID 106551541

IUPAC6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
SMILESCC(CCO)NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O2/c1-6(2-3-14)12-9(15)7-4-11-5-8(10)13-7/h4-6,14H,2-3H2,1H3,(H,12,15)
InChIKeyPZPLHGLTEVDSCO-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.63
Rot. Bonds4

About 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide

6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide (PubChem CID 106551541) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
PubChem CID106551541
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
SMILESCC(CCO)NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O2/c1-6(2-3-14)12-9(15)7-4-11-5-8(10)13-7/h4-6,14H,2-3H2,1H3,(H,12,15)
InChIKeyPZPLHGLTEVDSCO-UHFFFAOYSA-N
XLogP0.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(4-hydroxybutan-2-yl)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

6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 114035318
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
6-chloro-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 106551401
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide (CID 106551541) is 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide is CC(CCO)NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is PZPLHGLTEVDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6(2-3-14)12-9(15)7-4-11-5-8(10)13-7/h4-6,14H,2-3H2,1H3,(H,12,15).
What are the key properties of 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide?
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 229.67 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).