3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

C24H24N2O4 — CID 122472322

IUPAC3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCOc1ncc(C(=O)NC(CC(=O)O)c2ccccc2C)cc1-c1cccc(C)c1
InChIInChI=1S/C24H24N2O4/c1-15-7-6-9-17(11-15)20-12-18(14-25-24(20)30-3)23(29)26-21(13-22(27)28)19-10-5-4-8-16(19)2/h4-12,14,21H,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyUVRNYFQVJGQUPP-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.32
Rot. Bonds7

About 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 122472322) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
PubChem CID122472322
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCOc1ncc(C(=O)NC(CC(=O)O)c2ccccc2C)cc1-c1cccc(C)c1
InChIInChI=1S/C24H24N2O4/c1-15-7-6-9-17(11-15)20-12-18(14-25-24(20)30-3)23(29)26-21(13-22(27)28)19-10-5-4-8-16(19)2/h4-12,14,21H,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyUVRNYFQVJGQUPP-UHFFFAOYSA-N
XLogP4.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid with MolForge

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Related Compounds

3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid
CID 122472349
3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid
CID 122472331
3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
CID 90092943
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
(3S)-3-[[6-(2-chloro-5-methyl-3-pyridinyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 102594257
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
(3S)-3-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90094384
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 120532079
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
(3S)-3-[[6-(5-fluoro-2-methyl-4-pyridinyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 102594258
(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
CID 90093169

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (CID 122472322) is 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is COc1ncc(C(=O)NC(CC(=O)O)c2ccccc2C)cc1-c1cccc(C)c1.
What is the InChIKey of 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is UVRNYFQVJGQUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-7-6-9-17(11-15)20-12-18(14-25-24(20)30-3)23(29)26-21(13-22(27)28)19-10-5-4-8-16(19)2/h4-12,14,21H,13H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 404.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 122472322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).