6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid

C12H14N2O4 — CID 82737181

IUPAC6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1OCCC1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H14N2O4/c1-7-8(5-6-18-7)14-11(15)9-3-2-4-10(13-9)12(16)17/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyDFGNAQWRRRIBPQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.69
Rot. Bonds3

About 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid

6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 82737181) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID82737181
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1OCCC1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H14N2O4/c1-7-8(5-6-18-7)14-11(15)9-3-2-4-10(13-9)12(16)17/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyDFGNAQWRRRIBPQ-UHFFFAOYSA-N
XLogP0.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82726069
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119185912
6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 115910448
6-chloro-N-(2-methyloxolan-3-yl)pyridazine-3-carboxamide
CID 82726377
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051
2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid (CID 82737181) is 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid is CC1OCCC1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DFGNAQWRRRIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-8(5-6-18-7)14-11(15)9-3-2-4-10(13-9)12(16)17/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 82737181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).