2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid

C21H18N2O3 — CID 44571081

IUPAC2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-20(25)15-23(14-19-8-4-5-13-22-19)21(26)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,25)
InChIKeyGBWLYAJZBUPLPU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.48
Rot. Bonds6

About 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid

2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 44571081) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID44571081
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-20(25)15-23(14-19-8-4-5-13-22-19)21(26)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,25)
InChIKeyGBWLYAJZBUPLPU-UHFFFAOYSA-N
XLogP3.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10053205
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7-(3,5-Bis-trifluoromethyl-benzyl)-5-P-tolyl-8,9,10,11-tetrahydro-7H-1,7,11A-triaza-cycloocta[B]naphthalene-6,12-dione (atropisomeric mix)
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2-[3,5-Bis(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-4alpha-methyl-12-(4-methylphenyl)-8-aza[1,4]diazepino[1,2-b]isoquinoline-1,7-dione
CID 10144275
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
7-[3,5-Bis(trifluoromethyl)benzyl]-6,7,8,9,10,12-hexahydro-5-(4-methylphenyl)-6,12-dioxo[1,4)diazepino[2,1-g][1,7]naphthyridine
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N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid (CID 44571081) is 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is GBWLYAJZBUPLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(25)15-23(14-19-8-4-5-13-22-19)21(26)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,25).
What are the key properties of 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid?
2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 346.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylbenzoyl)-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 44571081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).