N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide

C20H19ClN4O — CID 109282024

IUPACN-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCc3ccc(Cl)cc3)cn2)cc1C
InChIInChI=1S/C20H19ClN4O/c1-13-3-8-17(9-14(13)2)25-19-12-22-18(11-23-19)20(26)24-10-15-4-6-16(21)7-5-15/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySYVILCURQUDSNU-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109282024) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109282024
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCc3ccc(Cl)cc3)cn2)cc1C
InChIInChI=1S/C20H19ClN4O/c1-13-3-8-17(9-14(13)2)25-19-12-22-18(11-23-19)20(26)24-10-15-4-6-16(21)7-5-15/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySYVILCURQUDSNU-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-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide (CID 109282024) is N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)NCc3ccc(Cl)cc3)cn2)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is SYVILCURQUDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-3-8-17(9-14(13)2)25-19-12-22-18(11-23-19)20(26)24-10-15-4-6-16(21)7-5-15/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(3,4-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-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).