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

C13H16N2O4 — CID 114244438

IUPAC4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8-11(4-6-19-8)15(2)12(16)9-3-5-14-7-10(9)13(17)18/h3,5,7-8,11H,4,6H2,1-2H3,(H,17,18)
InChIKeyKVDHATLMGPRTAT-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.03
Rot. Bonds3

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

4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114244438) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114244438
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8-11(4-6-19-8)15(2)12(16)9-3-5-14-7-10(9)13(17)18/h3,5,7-8,11H,4,6H2,1-2H3,(H,17,18)
InChIKeyKVDHATLMGPRTAT-UHFFFAOYSA-N
XLogP1.03
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 82754816
3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 105387115
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82739696
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114194006
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743180
5-fluoro-N-methyl-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82734881
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)-5-nitrobenzamide
CID 82734656

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid (CID 114244438) is 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid is CC1OCCC1N(C)C(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is KVDHATLMGPRTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-11(4-6-19-8)15(2)12(16)9-3-5-14-7-10(9)13(17)18/h3,5,7-8,11H,4,6H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114244438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).