N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide

C21H24N4O2 — CID 118761715

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1cccc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C21H24N4O2/c1-14-18(15(2)24-23-14)10-6-12-25(3)21(27)17-8-4-7-16(13-17)19-9-5-11-22-20(19)26/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyKMHAXOXKFWCBFL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.09
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 118761715) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
PubChem CID118761715
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1cccc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C21H24N4O2/c1-14-18(15(2)24-23-14)10-6-12-25(3)21(27)17-8-4-7-16(13-17)19-9-5-11-22-20(19)26/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyKMHAXOXKFWCBFL-UHFFFAOYSA-N
XLogP3.09
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide (CID 118761715) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cccc(-c2ccc[nH]c2=O)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is KMHAXOXKFWCBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-18(15(2)24-23-14)10-6-12-25(3)21(27)17-8-4-7-16(13-17)19-9-5-11-22-20(19)26/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 118761715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).