5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C13H16N2O4 — CID 81099650

IUPAC5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1OCCC1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O4/c1-8-10(4-5-19-8)12(16)15-7-9-2-3-11(13(17)18)14-6-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyKGDVSWRSRZEPIR-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.82
Rot. Bonds4

About 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099650) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099650
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1OCCC1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O4/c1-8-10(4-5-19-8)12(16)15-7-9-2-3-11(13(17)18)14-6-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyKGDVSWRSRZEPIR-UHFFFAOYSA-N
XLogP0.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
5-[(1,4-dioxane-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81098748
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
5-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099828
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
1-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496811

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099650) is 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid is CC1OCCC1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is KGDVSWRSRZEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-10(4-5-19-8)12(16)15-7-9-2-3-11(13(17)18)14-6-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).