N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide

C15H16Cl2N4O — CID 109273098

IUPACN-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-9(2)6-19-14-8-18-13(7-20-14)15(22)21-12-5-10(16)3-4-11(12)17/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNEIIKAYISOZRJV-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.10
Rot. Bonds5

About N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide

N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 109273098) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID109273098
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-9(2)6-19-14-8-18-13(7-20-14)15(22)21-12-5-10(16)3-4-11(12)17/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNEIIKAYISOZRJV-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109273088
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
N-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510
5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109273091
N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376370

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide (CID 109273098) is N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide is CC(C)CNc1cnc(C(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is NEIIKAYISOZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-9(2)6-19-14-8-18-13(7-20-14)15(22)21-12-5-10(16)3-4-11(12)17/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).