5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide

C15H16ClN3O — CID 107244703

IUPAC5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)12-5-3-11(4-6-12)7-19-15(20)13-8-18-14(16)9-17-13/h3-6,8-10H,7H2,1-2H3,(H,19,20)
InChIKeyYWZMWILOBZROTL-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.18
Rot. Bonds4

About 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 107244703) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID107244703
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)12-5-3-11(4-6-12)7-19-15(20)13-8-18-14(16)9-17-13/h3-6,8-10H,7H2,1-2H3,(H,19,20)
InChIKeyYWZMWILOBZROTL-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(4-propan-2-ylphenyl)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

5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929
5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 107257953
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
6-amino-N-[(4-propan-2-ylphenyl)methyl]pyridine-2-carboxamide
CID 62240545
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide (CID 107244703) is 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide is CC(C)c1ccc(CNC(=O)c2cnc(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is YWZMWILOBZROTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(2)12-5-3-11(4-6-12)7-19-15(20)13-8-18-14(16)9-17-13/h3-6,8-10H,7H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107244703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).