2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide

C22H21ClN2O3 — CID 110296795

IUPAC2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN2O3/c1-27-18-9-10-21(28-2)20(13-18)25-22(26)19(12-15-4-3-11-24-14-15)16-5-7-17(23)8-6-16/h3-11,13-14,19H,12H2,1-2H3,(H,25,26)
InChIKeyXWMCGDNIFPXLGV-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.72
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide

2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide (PubChem CID 110296795) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
PubChem CID110296795
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN2O3/c1-27-18-9-10-21(28-2)20(13-18)25-22(26)19(12-15-4-3-11-24-14-15)16-5-7-17(23)8-6-16/h3-11,13-14,19H,12H2,1-2H3,(H,25,26)
InChIKeyXWMCGDNIFPXLGV-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110422839
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide
CID 110296713
2-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylpropanamide
CID 110296494
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide
CID 110753997
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296450
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 1494909
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296223

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide (CID 110296795) is 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide is COc1ccc(OC)c(NC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is XWMCGDNIFPXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-18-9-10-21(28-2)20(13-18)25-22(26)19(12-15-4-3-11-24-14-15)16-5-7-17(23)8-6-16/h3-11,13-14,19H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide?
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 396.87 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110296795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).