N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine

C14H21N3O — CID 82727361

IUPACN-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCC1OCCC1Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H21N3O/c1-11-12(6-10-18-11)16-13-5-4-7-15-14(13)17-8-2-3-9-17/h4-5,7,11-12,16H,2-3,6,8-10H2,1H3
InChIKeyFMFAKSFZXBQXQH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds3

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

N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 82727361) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID82727361
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCC1OCCC1Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H21N3O/c1-11-12(6-10-18-11)16-13-5-4-7-15-14(13)17-8-2-3-9-17/h4-5,7,11-12,16H,2-3,6,8-10H2,1H3
InChIKeyFMFAKSFZXBQXQH-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine (CID 82727361) is N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine is CC1OCCC1Nc1cccnc1N1CCCC1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is FMFAKSFZXBQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-12(6-10-18-11)16-13-5-4-7-15-14(13)17-8-2-3-9-17/h4-5,7,11-12,16H,2-3,6,8-10H2,1H3.
What are the key properties of N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
N-(2-methyloxolan-3-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-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 82727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).