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

C15H14N2O4 — CID 66284982

IUPAC4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
SMILESCOC(=O)c1cc(Nc2ccc(C(=O)O)c(C)c2)ccn1
InChIInChI=1S/C15H14N2O4/c1-9-7-10(3-4-12(9)14(18)19)17-11-5-6-16-13(8-11)15(20)21-2/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPIDUVXCIDPFEDF-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.62
Rot. Bonds4

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

4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid (PubChem CID 66284982) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
PubChem CID66284982
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
SMILESCOC(=O)c1cc(Nc2ccc(C(=O)O)c(C)c2)ccn1
InChIInChI=1S/C15H14N2O4/c1-9-7-10(3-4-12(9)14(18)19)17-11-5-6-16-13(8-11)15(20)21-2/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPIDUVXCIDPFEDF-UHFFFAOYSA-N
XLogP2.62
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
2-methyl-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499677
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
methyl 4-methylpyridine-2-carboxylate
CID 10920693
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992
2-methyl-4-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 62131138
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220533
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]-2-methylbenzoic acid?
The IUPAC name of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid (CID 66284982) is 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid is COC(=O)c1cc(Nc2ccc(C(=O)O)c(C)c2)ccn1.
What is the InChIKey of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid?
The InChIKey is PIDUVXCIDPFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-7-10(3-4-12(9)14(18)19)17-11-5-6-16-13(8-11)15(20)21-2/h3-8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid?
4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.62, 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]-2-methylbenzoic acid is sourced from PubChem (CID 66284982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).