6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H12N2O4 — CID 43558434

IUPAC6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)15-13(17)11-3-2-4-12(16-11)14(18)19/h2-8H,1H3,(H,15,17)(H,18,19)
InChIKeyTTYVKSKWYBYYQB-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.04
Rot. Bonds4

About 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558434) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558434
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)15-13(17)11-3-2-4-12(16-11)14(18)19/h2-8H,1H3,(H,15,17)(H,18,19)
InChIKeyTTYVKSKWYBYYQB-UHFFFAOYSA-N
XLogP2.04
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
5-Methoxy-6-methylpicolinic acid
CID 281704
N,N'-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 4118086
4-(4-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 102499907
Isopropyl 6-({[4-(acetylamino)phenyl]amino}carbonyl)pyridine-2-carboxylate
CID 3235826
2-Phenyl 6-propan-2-YL pyridine-2,6-dicarboxylate
CID 3492878
2-Ethyl 6-phenyl pyridine-2,6-dicarboxylate
CID 4032767
4-(3-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 137662024
4-methoxypyridine-2,6-dicarboxylic Acid
CID 10488153
Methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3965403
4-[(4-Methoxyphenyl)methylamino]pyridine-2,6-dicarboxylic acid
CID 137639309
4-(4-Methoxyanilino)pyridine-2,6-dicarboxylic acid
CID 137660312

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558434) is 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is COc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is TTYVKSKWYBYYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)15-13(17)11-3-2-4-12(16-11)14(18)19/h2-8H,1H3,(H,15,17)(H,18,19).
What are the key properties of 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).