3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

C20H22N4O — CID 121196296

IUPAC3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C20H22N4O/c1-15-5-3-4-6-17(15)7-8-20(25)22-11-16-9-18(12-21-10-16)19-13-23-24(2)14-19/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyJQERPQVSVYSPOI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 121196296) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
PubChem CID121196296
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C20H22N4O/c1-15-5-3-4-6-17(15)7-8-20(25)22-11-16-9-18(12-21-10-16)19-13-23-24(2)14-19/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyJQERPQVSVYSPOI-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

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Related Compounds

3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
ethyl 4-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-4-oxobutanoate
CID 121196424
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
2-(2-chloro-6-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 119105107
2-(1H-indol-3-ylsulfanyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196444
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 121196495
1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 121196479
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (CID 121196296) is 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is Cc1ccccc1CCC(=O)NCc1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is JQERPQVSVYSPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-5-3-4-6-17(15)7-8-20(25)22-11-16-9-18(12-21-10-16)19-13-23-24(2)14-19/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 121196296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).