2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid

C19H22N2O3 — CID 138054880

IUPAC2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid
SMILESCCC(CNC(=O)c1ncc(C)cc1C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-19(18(23)24,15-8-6-5-7-9-15)12-21-17(22)16-14(3)10-13(2)11-20-16/h5-11H,4,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyAVZNQGMXZVPOEK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds6

About 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid

2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid (PubChem CID 138054880) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid
PubChem CID138054880
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid
SMILESCCC(CNC(=O)c1ncc(C)cc1C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-19(18(23)24,15-8-6-5-7-9-15)12-21-17(22)16-14(3)10-13(2)11-20-16/h5-11H,4,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyAVZNQGMXZVPOEK-UHFFFAOYSA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-methylthiophene-2-carbonyl)amino]methyl]-2-phenylbutanoic acid
CID 138054879
2-[[(2-methylpyrimidine-4-carbonyl)amino]methyl]-2-phenylbutanoic acid
CID 136547991
2-[[(6-methylpyridazine-3-carbonyl)amino]methyl]-2-phenylbutanoic acid
CID 138054881
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide
CID 143155991
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-[(6-chloro-3-pyridinyl)methyl]-2-phenylbutanoic acid
CID 83065311
5-[(2-ethyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685814
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
CID 106489320
N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
CID 119627567
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid?
The IUPAC name of 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid (CID 138054880) is 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid is CCC(CNC(=O)c1ncc(C)cc1C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid?
The InChIKey is AVZNQGMXZVPOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-19(18(23)24,15-8-6-5-7-9-15)12-21-17(22)16-14(3)10-13(2)11-20-16/h5-11H,4,12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid?
2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethylpyridine-2-carbonyl)amino]methyl]-2-phenylbutanoic acid is sourced from PubChem (CID 138054880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).