3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid

C16H16N2O3 — CID 62884347

IUPAC3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1cccc(C(=O)NCC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C16H16N2O3/c1-11-6-5-9-14(18-11)15(19)17-10-13(16(20)21)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyQBHHSSIVPOKKDZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.99
Rot. Bonds5

About 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid

3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62884347) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62884347
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1cccc(C(=O)NCC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C16H16N2O3/c1-11-6-5-9-14(18-11)15(19)17-10-13(16(20)21)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyQBHHSSIVPOKKDZ-UHFFFAOYSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
CID 107157522
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
CID 120528822
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid (CID 62884347) is 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid is Cc1cccc(C(=O)NCC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is QBHHSSIVPOKKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-5-9-14(18-11)15(19)17-10-13(16(20)21)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid?
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 284.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62884347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).