N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine

C14H21N3O — CID 43676380

IUPACN-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESc1cnc(N2CCCC2)c(NC2CCOCC2)c1
InChIInChI=1S/C14H21N3O/c1-2-9-17(8-1)14-13(4-3-7-15-14)16-12-5-10-18-11-6-12/h3-4,7,12,16H,1-2,5-6,8-11H2
InChIKeyQFXSOWNVEAERFG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds3

About N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine

N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43676380) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43676380
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESc1cnc(N2CCCC2)c(NC2CCOCC2)c1
InChIInChI=1S/C14H21N3O/c1-2-9-17(8-1)14-13(4-3-7-15-14)16-12-5-10-18-11-6-12/h3-4,7,12,16H,1-2,5-6,8-11H2
InChIKeyQFXSOWNVEAERFG-UHFFFAOYSA-N
XLogP2.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
CID 43676508
N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
CID 103981032
N-(3-methylcyclopentyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 64500200
N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 82727361
2-methyl-N-(oxepan-4-yl)pyridin-3-amine
CID 79042531
N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 112568481
N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 50970392
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824696
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
8-methyl-N-(oxepan-4-yl)quinolin-5-amine
CID 65082047

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine (CID 43676380) is N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine is c1cnc(N2CCCC2)c(NC2CCOCC2)c1.
What is the InChIKey of N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is QFXSOWNVEAERFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9-17(8-1)14-13(4-3-7-15-14)16-12-5-10-18-11-6-12/h3-4,7,12,16H,1-2,5-6,8-11H2.
What are the key properties of N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43676380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).