N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

C24H28N4O — CID 109287676

IUPACN-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1cnc(C(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C24H28N4O/c1-17(2)20-12-8-9-13-21(20)27-23-15-25-22(14-26-23)24(29)28(18(3)4)16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,26,27)
InChIKeyQQSFYCZMNXHAEV-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.39
Rot. Bonds7

About N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109287676) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109287676
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1cnc(C(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C24H28N4O/c1-17(2)20-12-8-9-13-21(20)27-23-15-25-22(14-26-23)24(29)28(18(3)4)16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,26,27)
InChIKeyQQSFYCZMNXHAEV-UHFFFAOYSA-N
XLogP5.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109275097

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109287676) is N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is CC(C)c1ccccc1Nc1cnc(C(=O)N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is QQSFYCZMNXHAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)20-12-8-9-13-21(20)27-23-15-25-22(14-26-23)24(29)28(18(3)4)16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,26,27).
What are the key properties of N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).