3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid

C28H24N2O3 — CID 90092943

IUPAC3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1ccnc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C28H24N2O3/c1-19-8-5-6-13-24(19)26(18-27(31)32)30-28(33)23-14-15-29-25(17-23)22-12-7-11-21(16-22)20-9-3-2-4-10-20/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32)
InChIKeyOTHLSDWFXTZZBN-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.67
Rot. Bonds7

About 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid

3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid (PubChem CID 90092943) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
PubChem CID90092943
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1ccnc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C28H24N2O3/c1-19-8-5-6-13-24(19)26(18-27(31)32)30-28(33)23-14-15-29-25(17-23)22-12-7-11-21(16-22)20-9-3-2-4-10-20/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32)
InChIKeyOTHLSDWFXTZZBN-UHFFFAOYSA-N
XLogP5.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
CID 90093169
(3S)-3-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90094384
3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 122472322
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71268833
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid
CID 122472349
3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782573
(3R)-3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851599

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid (CID 90092943) is 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid is Cc1ccccc1C(CC(=O)O)NC(=O)c1ccnc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid?
The InChIKey is OTHLSDWFXTZZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-19-8-5-6-13-24(19)26(18-27(31)32)30-28(33)23-14-15-29-25(17-23)22-12-7-11-21(16-22)20-9-3-2-4-10-20/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid?
3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid has a molecular weight of 436.51 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 90092943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).