4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid

C14H12N2O4 — CID 66288598

IUPAC4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
SMILESCOC(=O)c1cc(Nc2ccc(C(=O)O)cc2)ccn1
InChIInChI=1S/C14H12N2O4/c1-20-14(19)12-8-11(6-7-15-12)16-10-4-2-9(3-5-10)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyIWGMHQAZBYDAEM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.31
Rot. Bonds4

About 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid

4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid (PubChem CID 66288598) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
PubChem CID66288598
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
SMILESCOC(=O)c1cc(Nc2ccc(C(=O)O)cc2)ccn1
InChIInChI=1S/C14H12N2O4/c1-20-14(19)12-8-11(6-7-15-12)16-10-4-2-9(3-5-10)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyIWGMHQAZBYDAEM-UHFFFAOYSA-N
XLogP2.31
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
CID 66284982
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220466
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]benzoic acid
CID 66288597
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]benzoate
CID 109215649
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid?
The IUPAC name of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid (CID 66288598) is 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid is COC(=O)c1cc(Nc2ccc(C(=O)O)cc2)ccn1.
What is the InChIKey of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid?
The InChIKey is IWGMHQAZBYDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-14(19)12-8-11(6-7-15-12)16-10-4-2-9(3-5-10)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid?
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 66288598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).