2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid

C15H12N2O5 — CID 126696655

IUPAC2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H12N2O5/c1-22-15(21)10-6-4-9(5-7-10)13(18)17-12-11(14(19)20)3-2-8-16-12/h2-8H,1H3,(H,19,20)(H,16,17,18)
InChIKeyYFWBHHIYXMCQBV-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.82
Rot. Bonds4

About 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid

2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 126696655) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID126696655
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H12N2O5/c1-22-15(21)10-6-4-9(5-7-10)13(18)17-12-11(14(19)20)3-2-8-16-12/h2-8H,1H3,(H,19,20)(H,16,17,18)
InChIKeyYFWBHHIYXMCQBV-UHFFFAOYSA-N
XLogP1.82
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid (CID 126696655) is 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid is COC(=O)c1ccc(C(=O)Nc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YFWBHHIYXMCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-22-15(21)10-6-4-9(5-7-10)13(18)17-12-11(14(19)20)3-2-8-16-12/h2-8H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid?
2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycarbonylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 126696655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).