N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide

C20H19ClN4O — CID 109281831

IUPACN-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(Nc2cnc(C(=O)NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H19ClN4O/c1-13-7-8-14(2)17(9-13)25-19-12-22-18(11-23-19)20(26)24-10-15-5-3-4-6-16(15)21/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWGPVOUJUXUXFIV-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109281831) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109281831
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(Nc2cnc(C(=O)NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H19ClN4O/c1-13-7-8-14(2)17(9-13)25-19-12-22-18(11-23-19)20(26)24-10-15-5-3-4-6-16(15)21/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWGPVOUJUXUXFIV-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109348620
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide (CID 109281831) is N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide is Cc1ccc(C)c(Nc2cnc(C(=O)NCc3ccccc3Cl)cn2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is WGPVOUJUXUXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-7-8-14(2)17(9-13)25-19-12-22-18(11-23-19)20(26)24-10-15-5-3-4-6-16(15)21/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109281831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).