N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide

C16H19ClN4O — CID 109273038

IUPACN-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCC(C)C)cn1
InChIInChI=1S/C16H19ClN4O/c1-10(2)7-19-15-9-18-14(8-20-15)16(22)21-13-5-4-12(17)6-11(13)3/h4-6,8-10H,7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPBJNDSYCUGVJIZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.76
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 109273038) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID109273038
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCC(C)C)cn1
InChIInChI=1S/C16H19ClN4O/c1-10(2)7-19-15-9-18-14(8-20-15)16(22)21-13-5-4-12(17)6-11(13)3/h4-6,8-10H,7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPBJNDSYCUGVJIZ-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)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

N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376370
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide (CID 109273038) is N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(NCC(C)C)cn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is PBJNDSYCUGVJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10(2)7-19-15-9-18-14(8-20-15)16(22)21-13-5-4-12(17)6-11(13)3/h4-6,8-10H,7H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).