N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide

C21H21ClN4O — CID 109282031

IUPACN-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1Nc1cnc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-3-16-6-4-5-14(2)20(16)26-19-13-23-18(12-24-19)21(27)25-11-15-7-9-17(22)10-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGFVDVBOZICLBLU-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.67
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide (PubChem CID 109282031) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
PubChem CID109282031
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1Nc1cnc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-3-16-6-4-5-14(2)20(16)26-19-13-23-18(12-24-19)21(27)25-11-15-7-9-17(22)10-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGFVDVBOZICLBLU-UHFFFAOYSA-N
XLogP4.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282986
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide (CID 109282031) is N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide is CCc1cccc(C)c1Nc1cnc(C(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide?
The InChIKey is GFVDVBOZICLBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-3-16-6-4-5-14(2)20(16)26-19-13-23-18(12-24-19)21(27)25-11-15-7-9-17(22)10-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).