N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

C17H22N4O — CID 109271545

IUPACN-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NC(C)C)cn1)c1cccc(C)c1
InChIInChI=1S/C17H22N4O/c1-5-21(14-8-6-7-13(4)9-14)17(22)15-10-19-16(11-18-15)20-12(2)3/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeyKMBXASHERDJAFL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 109271545) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID109271545
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NC(C)C)cn1)c1cccc(C)c1
InChIInChI=1S/C17H22N4O/c1-5-21(14-8-6-7-13(4)9-14)17(22)15-10-19-16(11-18-15)20-12(2)3/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeyKMBXASHERDJAFL-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109287454
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
N-ethyl-N-(3-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189083
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109293352
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
N-ethyl-N-(3-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288895
N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118810
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 109271545) is N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is CCN(C(=O)c1cnc(NC(C)C)cn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is KMBXASHERDJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-21(14-8-6-7-13(4)9-14)17(22)15-10-19-16(11-18-15)20-12(2)3/h6-12H,5H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).