4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide

C21H22N4O2 — CID 135355243

IUPAC4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-22-21(27)16-7-5-15(6-8-16)18-9-20(26)24(2)13-19(18)17-10-23-25(12-17)11-14-3-4-14/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,27)
InChIKeyZMLUYPLCIMZVPH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.69
Rot. Bonds5

About 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide

4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide (PubChem CID 135355243) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide
PubChem CID135355243
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-22-21(27)16-7-5-15(6-8-16)18-9-20(26)24(2)13-19(18)17-10-23-25(12-17)11-14-3-4-14/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,27)
InChIKeyZMLUYPLCIMZVPH-UHFFFAOYSA-N
XLogP2.69
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide?
The IUPAC name of 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide (CID 135355243) is 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3)c2)cc1.
What is the InChIKey of 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide?
The InChIKey is ZMLUYPLCIMZVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-22-21(27)16-7-5-15(6-8-16)18-9-20(26)24(2)13-19(18)17-10-23-25(12-17)11-14-3-4-14/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,27).
What are the key properties of 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide?
4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 135355243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).