3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid

C13H11N3O3 — CID 20866849

IUPAC3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2cccnc2C(=O)O)nc1
InChIInChI=1S/C13H11N3O3/c1-8-4-5-10(15-7-8)16-12(17)9-3-2-6-14-11(9)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyWOTZTZZZCLDKIA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.74
Rot. Bonds3

About 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid

3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 20866849) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID20866849
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2cccnc2C(=O)O)nc1
InChIInChI=1S/C13H11N3O3/c1-8-4-5-10(15-7-8)16-12(17)9-3-2-6-14-11(9)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyWOTZTZZZCLDKIA-UHFFFAOYSA-N
XLogP1.74
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid (CID 20866849) is 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)c2cccnc2C(=O)O)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WOTZTZZZCLDKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-4-5-10(15-7-8)16-12(17)9-3-2-6-14-11(9)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 20866849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).