5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid

C12H16N2O3 — CID 115490926

IUPAC5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CCOCC2)cn1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-2-1-10(8-14-11)13-7-9-3-5-17-6-4-9/h1-2,8-9,13H,3-7H2,(H,15,16)
InChIKeyRIFPOBZMYIELID-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.62
Rot. Bonds4

About 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid

5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid (PubChem CID 115490926) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
PubChem CID115490926
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CCOCC2)cn1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-2-1-10(8-14-11)13-7-9-3-5-17-6-4-9/h1-2,8-9,13H,3-7H2,(H,15,16)
InChIKeyRIFPOBZMYIELID-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104642789
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
5-[(1,1-dioxothiolan-2-yl)methylamino]pyridine-2-carboxylic acid
CID 113321675
6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
CID 63713128
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
CID 115490922
5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide
CID 67969231
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81243824
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid (CID 115490926) is 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NCC2CCOCC2)cn1.
What is the InChIKey of 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is RIFPOBZMYIELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)11-2-1-10(8-14-11)13-7-9-3-5-17-6-4-9/h1-2,8-9,13H,3-7H2,(H,15,16).
What are the key properties of 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid?
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 115490926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).