3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide

C20H22N4O — CID 119105165

IUPAC3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C20H22N4O/c1-15-5-3-4-6-17(15)7-8-20(25)22-13-16-11-18(14-21-12-16)19-9-10-23-24(19)2/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,25)
InChIKeyNLKDNYHEDXJQIP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide

3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 119105165) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
PubChem CID119105165
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C20H22N4O/c1-15-5-3-4-6-17(15)7-8-20(25)22-13-16-11-18(14-21-12-16)19-9-10-23-24(19)2/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,25)
InChIKeyNLKDNYHEDXJQIP-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121196296
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
3-(2-methylphenyl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122162670
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide (CID 119105165) is 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide is Cc1ccccc1CCC(=O)NCc1cncc(-c2ccnn2C)c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is NLKDNYHEDXJQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-5-3-4-6-17(15)7-8-20(25)22-13-16-11-18(14-21-12-16)19-9-10-23-24(19)2/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 119105165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).