2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid

C14H20N2O3 — CID 113380266

IUPAC2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NC2CCCOC2)n1
InChIInChI=1S/C14H20N2O3/c1-2-4-11-7-10(14(17)18)8-13(15-11)16-12-5-3-6-19-9-12/h7-8,12H,2-6,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyITIXDZHPCVHTOD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.32
Rot. Bonds5

About 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid

2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 113380266) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID113380266
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NC2CCCOC2)n1
InChIInChI=1S/C14H20N2O3/c1-2-4-11-7-10(14(17)18)8-13(15-11)16-12-5-3-6-19-9-12/h7-8,12H,2-6,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyITIXDZHPCVHTOD-UHFFFAOYSA-N
XLogP2.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
CID 113379638
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]-propylamino]acetic acid
CID 122051371
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
3-bromo-4-(oxan-3-ylamino)benzoic acid
CID 82801534
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-methyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136956674

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid (CID 113380266) is 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NC2CCCOC2)n1.
What is the InChIKey of 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is ITIXDZHPCVHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-4-11-7-10(14(17)18)8-13(15-11)16-12-5-3-6-19-9-12/h7-8,12H,2-6,9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).