1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide

C21H22N4O3 — CID 158183554

IUPAC1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCc2ccn[nH]2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H22N4O3/c1-22-20(27)18-12-16(19(26)9-5-8-17-10-11-23-24-17)14-25(21(18)28)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,14H,5,8-9,13H2,1H3,(H,22,27)(H,23,24)
InChIKeyFYWOETNWXQIABA-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.18
Rot. Bonds8

About 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide

1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide (PubChem CID 158183554) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide
PubChem CID158183554
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCc2ccn[nH]2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H22N4O3/c1-22-20(27)18-12-16(19(26)9-5-8-17-10-11-23-24-17)14-25(21(18)28)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,14H,5,8-9,13H2,1H3,(H,22,27)(H,23,24)
InChIKeyFYWOETNWXQIABA-UHFFFAOYSA-N
XLogP2.18
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide
CID 129022866
1-benzyl-3-N-methyl-2-oxo-5-N-pyridazin-4-ylpyridine-3,5-dicarboxamide
CID 135341776
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 159311932
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide (CID 158183554) is 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCc2ccn[nH]2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide?
The InChIKey is FYWOETNWXQIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-22-20(27)18-12-16(19(26)9-5-8-17-10-11-23-24-17)14-25(21(18)28)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,14H,5,8-9,13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide?
1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide is sourced from PubChem (CID 158183554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).