4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid

C13H11N3O3 — CID 114244313

IUPAC4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cccnc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H11N3O3/c1-8-3-2-5-15-11(8)16-12(17)9-4-6-14-7-10(9)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyXBPPTYOWVSAIPV-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.74
Rot. Bonds3

About 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid

4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114244313) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114244313
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cccnc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H11N3O3/c1-8-3-2-5-15-11(8)16-12(17)9-4-6-14-7-10(9)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyXBPPTYOWVSAIPV-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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Related Compounds

2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
6-methyl-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46642959

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid (CID 114244313) is 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid is Cc1cccnc1NC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XBPPTYOWVSAIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-3-2-5-15-11(8)16-12(17)9-4-6-14-7-10(9)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-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 4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114244313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).