N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide

C23H26N4O — CID 109287672

IUPACN-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)N(Cc3ccccc3)C(C)C)cn2)c1C
InChIInChI=1S/C23H26N4O/c1-16(2)27(15-19-10-6-5-7-11-19)23(28)21-13-25-22(14-24-21)26-20-12-8-9-17(3)18(20)4/h5-14,16H,15H2,1-4H3,(H,25,26)
InChIKeyJVZWHIMKMTUHEC-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.89
Rot. Bonds6

About N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide

N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109287672) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109287672
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)N(Cc3ccccc3)C(C)C)cn2)c1C
InChIInChI=1S/C23H26N4O/c1-16(2)27(15-19-10-6-5-7-11-19)23(28)21-13-25-22(14-24-21)26-20-12-8-9-17(3)18(20)4/h5-14,16H,15H2,1-4H3,(H,25,26)
InChIKeyJVZWHIMKMTUHEC-UHFFFAOYSA-N
XLogP4.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide (CID 109287672) is N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)N(Cc3ccccc3)C(C)C)cn2)c1C.
What is the InChIKey of N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is JVZWHIMKMTUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)27(15-19-10-6-5-7-11-19)23(28)21-13-25-22(14-24-21)26-20-12-8-9-17(3)18(20)4/h5-14,16H,15H2,1-4H3,(H,25,26).
What are the key properties of N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide?
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).