2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C21H26N2O4 — CID 120533670

IUPAC2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NC(CCOC(C)(C)C)C(=O)O
InChIInChI=1S/C21H26N2O4/c1-14-16(10-11-17(22-14)15-8-6-5-7-9-15)19(24)23-18(20(25)26)12-13-27-21(2,3)4/h5-11,18H,12-13H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyLEXUBYHEBYEJIC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.45
Rot. Bonds7

About 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533670) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533670
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NC(CCOC(C)(C)C)C(=O)O
InChIInChI=1S/C21H26N2O4/c1-14-16(10-11-17(22-14)15-8-6-5-7-9-15)19(24)23-18(20(25)26)12-13-27-21(2,3)4/h5-11,18H,12-13H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyLEXUBYHEBYEJIC-UHFFFAOYSA-N
XLogP3.45
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957
2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533722
N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 119615030
N-[1-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 42922646
2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533658
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 45142211
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
2-[(4-chloro-3-fluorobenzoyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533737
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533670) is 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is Cc1nc(-c2ccccc2)ccc1C(=O)NC(CCOC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is LEXUBYHEBYEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-16(10-11-17(22-14)15-8-6-5-7-9-15)19(24)23-18(20(25)26)12-13-27-21(2,3)4/h5-11,18H,12-13H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 370.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).