6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid

C14H13N3O4 — CID 63643592

IUPAC6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)Nc2cccc(C(=O)O)n2)n(C)c1
InChIInChI=1S/C14H13N3O4/c1-8(18)9-6-11(17(2)7-9)13(19)16-12-5-3-4-10(15-12)14(20)21/h3-7H,1-2H3,(H,20,21)(H,15,16,19)
InChIKeyLHPKBTYNNUWZQO-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.57
Rot. Bonds4

About 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid

6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 63643592) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID63643592
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)Nc2cccc(C(=O)O)n2)n(C)c1
InChIInChI=1S/C14H13N3O4/c1-8(18)9-6-11(17(2)7-9)13(19)16-12-5-3-4-10(15-12)14(20)21/h3-7H,1-2H3,(H,20,21)(H,15,16,19)
InChIKeyLHPKBTYNNUWZQO-UHFFFAOYSA-N
XLogP1.57
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 63643592) is 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid is CC(=O)c1cc(C(=O)Nc2cccc(C(=O)O)n2)n(C)c1.
What is the InChIKey of 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is LHPKBTYNNUWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8(18)9-6-11(17(2)7-9)13(19)16-12-5-3-4-10(15-12)14(20)21/h3-7H,1-2H3,(H,20,21)(H,15,16,19).
What are the key properties of 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).