N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide

C15H18N4O2 — CID 91776352

IUPACN-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)CC(NC(=O)c1c[nH]c(=O)cn1)c1cccnc1
InChIInChI=1S/C15H18N4O2/c1-10(2)6-12(11-4-3-5-16-7-11)19-15(21)13-8-18-14(20)9-17-13/h3-5,7-10,12H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJKSYWCBYMNARJO-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.68
Rot. Bonds5

About N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 91776352) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID91776352
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)CC(NC(=O)c1c[nH]c(=O)cn1)c1cccnc1
InChIInChI=1S/C15H18N4O2/c1-10(2)6-12(11-4-3-5-16-7-11)19-15(21)13-8-18-14(20)9-17-13/h3-5,7-10,12H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJKSYWCBYMNARJO-UHFFFAOYSA-N
XLogP1.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
CID 118763463
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
3-cyclopropyl-5-methyl-N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-1H-pyrazole-4-carboxamide
CID 125154989
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61066772
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
5-(propylamino)-N-(1-pyridin-3-ylethyl)pyrazine-2-carboxamide
CID 107374495
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 91776352) is N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide is CC(C)CC(NC(=O)c1c[nH]c(=O)cn1)c1cccnc1.
What is the InChIKey of N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is JKSYWCBYMNARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(2)6-12(11-4-3-5-16-7-11)19-15(21)13-8-18-14(20)9-17-13/h3-5,7-10,12H,6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91776352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).