4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid

C12H16N2O3 — CID 81244837

IUPAC4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCCC1CCCO1
InChIInChI=1S/C12H16N2O3/c15-12(16)10-8-13-5-4-11(10)14-6-3-9-2-1-7-17-9/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyCTDKBWPGABOGQQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.76
Rot. Bonds5

About 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid

4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81244837) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID81244837
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCCC1CCCO1
InChIInChI=1S/C12H16N2O3/c15-12(16)10-8-13-5-4-11(10)14-6-3-9-2-1-7-17-9/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyCTDKBWPGABOGQQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 81240671
4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
CID 167745414
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382
5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088661
N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
[(3R)-3-hydroxypiperidin-1-yl]-[2-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828541
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81243951

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 81244837) is 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1NCCC1CCCO1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is CTDKBWPGABOGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)10-8-13-5-4-11(10)14-6-3-9-2-1-7-17-9/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid?
4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).