5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide

C22H23ClN4O — CID 109287739

IUPAC5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C22H23ClN4O/c1-15(2)27(14-17-8-5-4-6-9-17)21-13-24-20(12-25-21)22(28)26-19-11-7-10-18(23)16(19)3/h4-13,15H,14H2,1-3H3,(H,26,28)
InChIKeyOAYGCKWEYIMKFJ-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.11
Rot. Bonds6

About 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109287739) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109287739
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C22H23ClN4O/c1-15(2)27(14-17-8-5-4-6-9-17)21-13-24-20(12-25-21)22(28)26-19-11-7-10-18(23)16(19)3/h4-13,15H,14H2,1-3H3,(H,26,28)
InChIKeyOAYGCKWEYIMKFJ-UHFFFAOYSA-N
XLogP5.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)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-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
5-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109287764
2-[benzyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109256817
5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109195480
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
2-[benzyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258481
5-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282403
N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189031
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846437
5-(diethylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109286882
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide (CID 109287739) is 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cnc(N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is OAYGCKWEYIMKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-15(2)27(14-17-8-5-4-6-9-17)21-13-24-20(12-25-21)22(28)26-19-11-7-10-18(23)16(19)3/h4-13,15H,14H2,1-3H3,(H,26,28).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).