2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid

C14H20N2O3 — CID 113380250

IUPAC2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCC2CCOC2)n1
InChIInChI=1S/C14H20N2O3/c1-2-3-12-6-11(14(17)18)7-13(16-12)15-8-10-4-5-19-9-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyIYHYVCXAYFGAQZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.18
Rot. Bonds6

About 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid

2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 113380250) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID113380250
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCC2CCOC2)n1
InChIInChI=1S/C14H20N2O3/c1-2-3-12-6-11(14(17)18)7-13(16-12)15-8-10-4-5-19-9-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyIYHYVCXAYFGAQZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266
2-chloro-6-(oxan-4-ylmethylamino)pyridine-4-carboxylic acid
CID 63708052
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
CID 113379638
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114106041
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
CID 106287098
2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
CID 113379634

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid (CID 113380250) is 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NCC2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is IYHYVCXAYFGAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-12-6-11(14(17)18)7-13(16-12)15-8-10-4-5-19-9-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid?
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).