2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid

C12H14N2O4 — CID 65157572

IUPAC2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CC1CCCO1)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H14N2O4/c15-10(7-8-3-2-6-18-8)14-11-9(12(16)17)4-1-5-13-11/h1,4-5,8H,2-3,6-7H2,(H,16,17)(H,13,14,15)
InChIKeyRSSXZJAMWMZNMN-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.29
Rot. Bonds4

About 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid

2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 65157572) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID65157572
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CC1CCCO1)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H14N2O4/c15-10(7-8-3-2-6-18-8)14-11-9(12(16)17)4-1-5-13-11/h1,4-5,8H,2-3,6-7H2,(H,16,17)(H,13,14,15)
InChIKeyRSSXZJAMWMZNMN-UHFFFAOYSA-N
XLogP1.29
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 63654102
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
3-bromo-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156898
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 129403217
2-[[(2S)-oxolan-2-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 40605283
N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
CID 113391812
3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156897
2-(oxan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 43241352
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid (CID 65157572) is 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid is O=C(CC1CCCO1)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is RSSXZJAMWMZNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(7-8-3-2-6-18-8)14-11-9(12(16)17)4-1-5-13-11/h1,4-5,8H,2-3,6-7H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid?
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 65157572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).