1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide

C20H21N5O3 — CID 129022866

IUPAC1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCc2cn[nH]c2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H21N5O3/c1-21-19(27)17-9-16(18(26)22-8-7-15-10-23-24-11-15)13-25(20(17)28)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,27)(H,22,26)(H,23,24)
InChIKeySQUQXKBBDZDFFU-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.95
Rot. Bonds7

About 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 129022866) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID129022866
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCc2cn[nH]c2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H21N5O3/c1-21-19(27)17-9-16(18(26)22-8-7-15-10-23-24-11-15)13-25(20(17)28)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,27)(H,22,26)(H,23,24)
InChIKeySQUQXKBBDZDFFU-UHFFFAOYSA-N
XLogP0.95
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-3-N-methyl-2-oxo-5-N-pyridazin-4-ylpyridine-3,5-dicarboxamide
CID 135341776
1-benzyl-5-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126721346
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
CID 126721348
1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide
CID 158183554
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide (CID 129022866) is 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCc2cn[nH]c2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is SQUQXKBBDZDFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-21-19(27)17-9-16(18(26)22-8-7-15-10-23-24-11-15)13-25(20(17)28)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,27)(H,22,26)(H,23,24).
What are the key properties of 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 129022866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).