2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid

C16H16N2O3 — CID 63020674

IUPAC2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid
SMILESCc1cc(NC(=O)Cc2ccncc2)cc(C(=O)O)c1C
InChIInChI=1S/C16H16N2O3/c1-10-7-13(9-14(11(10)2)16(20)21)18-15(19)8-12-3-5-17-6-4-12/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVMFQUUAEYPSFJP-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.58
Rot. Bonds4

About 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid

2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid (PubChem CID 63020674) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid
PubChem CID63020674
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid
SMILESCc1cc(NC(=O)Cc2ccncc2)cc(C(=O)O)c1C
InChIInChI=1S/C16H16N2O3/c1-10-7-13(9-14(11(10)2)16(20)21)18-15(19)8-12-3-5-17-6-4-12/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVMFQUUAEYPSFJP-UHFFFAOYSA-N
XLogP2.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
5-(4-aminobutanoylamino)-2,3-dimethylbenzoic acid
CID 63020000
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
N,2-dipyridin-4-ylacetamide
CID 110468100
2,3-dimethyl-5-[3-(methylamino)propanoylamino]benzoic acid
CID 63021225
5-[(3-amino-3-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 64676851
5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
CID 63020173
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
CID 112532425
2,3-dimethyl-5-(2-methylbutanoylamino)benzoic acid
CID 63020676
5-[[2-(1-methoxycyclobutyl)acetyl]amino]-2,3-dimethylbenzoic acid
CID 103555614

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
The IUPAC name of 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid (CID 63020674) is 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid is Cc1cc(NC(=O)Cc2ccncc2)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
The InChIKey is VMFQUUAEYPSFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-13(9-14(11(10)2)16(20)21)18-15(19)8-12-3-5-17-6-4-12/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 63020674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).