(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid

C28H24N2O3 — CID 90093169

IUPAC(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C28H24N2O3/c1-19-9-5-6-14-23(19)26(18-27(31)32)30-28(33)25-16-8-15-24(29-25)22-13-7-12-21(17-22)20-10-3-2-4-11-20/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32)/t26-/m0/s1
InChIKeyHPCLUPWEYNHVBG-SANMLTNESA-N
MW436.51 g/mol
LogP5.67
Rot. Bonds7

About (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid

(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 90093169) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID90093169
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C28H24N2O3/c1-19-9-5-6-14-23(19)26(18-27(31)32)30-28(33)25-16-8-15-24(29-25)22-13-7-12-21(17-22)20-10-3-2-4-11-20/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32)/t26-/m0/s1
InChIKeyHPCLUPWEYNHVBG-SANMLTNESA-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-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
CID 90092943
(3S)-3-[[6-(2,3-difluorophenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid;(3S)-3-[[6-(2,5-difluorophenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 158662187
3-[(1-benzyl-5-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71269586
(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid
CID 155969180
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
3-[(6-chloro-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 72661502
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71268833
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
(3S)-3-[[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 89397172
(3S)-3-[[6-(5-fluoro-2-methyl-4-pyridinyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 102594258

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid (CID 90093169) is (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid is Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is HPCLUPWEYNHVBG-SANMLTNESA-N. The full InChI is InChI=1S/C28H24N2O3/c1-19-9-5-6-14-23(19)26(18-27(31)32)30-28(33)25-16-8-15-24(29-25)22-13-7-12-21(17-22)20-10-3-2-4-11-20/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32)/t26-/m0/s1.
What are the key properties of (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid?
(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-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 (3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 90093169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).