N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide

C22H24N4O2 — CID 109281113

IUPACN-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2cnc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-16(2)28-19-11-9-18(10-12-19)25-21-14-23-20(13-24-21)22(27)26(3)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,24,25)
InChIKeyUSZSZXGHLHVYKW-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide

N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide (PubChem CID 109281113) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
PubChem CID109281113
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2cnc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-16(2)28-19-11-9-18(10-12-19)25-21-14-23-20(13-24-21)22(27)26(3)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,24,25)
InChIKeyUSZSZXGHLHVYKW-UHFFFAOYSA-N
XLogP4.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
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-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide (CID 109281113) is N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide is CC(C)Oc1ccc(Nc2cnc(C(=O)N(C)Cc3ccccc3)cn2)cc1.
What is the InChIKey of N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The InChIKey is USZSZXGHLHVYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)28-19-11-9-18(10-12-19)25-21-14-23-20(13-24-21)22(27)26(3)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,24,25).
What are the key properties of N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109281113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).