4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid

C13H16N2O4 — CID 114278637

IUPAC4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid
SMILESCc1cnccc1C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H16N2O4/c1-9-8-14-5-2-10(9)11(16)15-13(12(17)18)3-6-19-7-4-13/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDELWLBPRALGRFE-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

About 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid

4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid (PubChem CID 114278637) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid
PubChem CID114278637
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid
SMILESCc1cnccc1C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H16N2O4/c1-9-8-14-5-2-10(9)11(16)15-13(12(17)18)3-6-19-7-4-13/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDELWLBPRALGRFE-UHFFFAOYSA-N
XLogP0.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532728
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
4-[(2-methylsulfanylpyridine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 115291465
4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 107675089
4-[(2-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280132
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756
3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
CID 105072489
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid (CID 114278637) is 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid is Cc1cnccc1C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid?
The InChIKey is DELWLBPRALGRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9-8-14-5-2-10(9)11(16)15-13(12(17)18)3-6-19-7-4-13/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid?
4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 114278637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).