N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide

C20H19ClN4O3 — CID 109282055

IUPACN-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)NCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-15-7-8-18(28-2)16(9-15)25-19-12-22-17(11-23-19)20(26)24-10-13-3-5-14(21)6-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQMTWONLUCPGSGA-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.82
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109282055) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
PubChem CID109282055
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)NCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-15-7-8-18(28-2)16(9-15)25-19-12-22-17(11-23-19)20(26)24-10-13-3-5-14(21)6-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQMTWONLUCPGSGA-UHFFFAOYSA-N
XLogP3.82
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109292936
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide (CID 109282055) is N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide is COc1ccc(OC)c(Nc2cnc(C(=O)NCc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is QMTWONLUCPGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-15-7-8-18(28-2)16(9-15)25-19-12-22-17(11-23-19)20(26)24-10-13-3-5-14(21)6-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).