(3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid

C28H35N3O4 — CID 146189841

IUPAC(3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
SMILESCc1cccc(C)c1C1=CN=CC(C)([C@@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)n2ccccc2=O)C1
InChIInChI=1S/C28H35N3O4/c1-18(2)13-22(31-12-7-6-11-24(31)32)27(35)30-23(14-25(33)34)28(5)15-21(16-29-17-28)26-19(3)9-8-10-20(26)4/h6-12,16-18,22-23H,13-15H2,1-5H3,(H,30,35)(H,33,34)/t22-,23-,28?/m1/s1
InChIKeyAYWJZMIFFNLASE-TXUOUNKJSA-N
MW477.61 g/mol
LogP4.53
Rot. Bonds9

About (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid

(3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid (PubChem CID 146189841) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
PubChem CID146189841
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name(3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
SMILESCc1cccc(C)c1C1=CN=CC(C)([C@@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)n2ccccc2=O)C1
InChIInChI=1S/C28H35N3O4/c1-18(2)13-22(31-12-7-6-11-24(31)32)27(35)30-23(14-25(33)34)28(5)15-21(16-29-17-28)26-19(3)9-8-10-20(26)4/h6-12,16-18,22-23H,13-15H2,1-5H3,(H,30,35)(H,33,34)/t22-,23-,28?/m1/s1
InChIKeyAYWJZMIFFNLASE-TXUOUNKJSA-N
XLogP4.53
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid?
The IUPAC name of (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid (CID 146189841) is (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid.
What is the SMILES notation for (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid?
The canonical SMILES for (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid is Cc1cccc(C)c1C1=CN=CC(C)([C@@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)n2ccccc2=O)C1.
What is the InChIKey of (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid?
The InChIKey is AYWJZMIFFNLASE-TXUOUNKJSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-18(2)13-22(31-12-7-6-11-24(31)32)27(35)30-23(14-25(33)34)28(5)15-21(16-29-17-28)26-19(3)9-8-10-20(26)4/h6-12,16-18,22-23H,13-15H2,1-5H3,(H,30,35)(H,33,34)/t22-,23-,28?/m1/s1.
What are the key properties of (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid?
(3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid has a molecular weight of 477.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(2,6-dimethylphenyl)-3-methyl-4H-pyridin-3-yl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid is sourced from PubChem (CID 146189841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).