5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide

C23H24N4O2 — CID 109287695

IUPAC5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)N(Cc3ccccc3)C(C)C)cn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(15-18-7-5-4-6-8-18)23(29)21-13-25-22(14-24-21)26-20-11-9-19(10-12-20)17(3)28/h4-14,16H,15H2,1-3H3,(H,25,26)
InChIKeyRGRXFYBUDLDJEX-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.47
Rot. Bonds7

About 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide

5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109287695) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109287695
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)N(Cc3ccccc3)C(C)C)cn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(15-18-7-5-4-6-8-18)23(29)21-13-25-22(14-24-21)26-20-11-9-19(10-12-20)17(3)28/h4-14,16H,15H2,1-3H3,(H,25,26)
InChIKeyRGRXFYBUDLDJEX-UHFFFAOYSA-N
XLogP4.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
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-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide (CID 109287695) is 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide is CC(=O)c1ccc(Nc2cnc(C(=O)N(Cc3ccccc3)C(C)C)cn2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is RGRXFYBUDLDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)27(15-18-7-5-4-6-8-18)23(29)21-13-25-22(14-24-21)26-20-11-9-19(10-12-20)17(3)28/h4-14,16H,15H2,1-3H3,(H,25,26).
What are the key properties of 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide?
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109287695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).