N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine

C13H21N3O2 — CID 113371049

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NC1CNC[C@@H]1OC
InChIInChI=1S/C13H21N3O2/c1-3-7-18-11-5-4-6-15-13(11)16-10-8-14-9-12(10)17-2/h4-6,10,12,14H,3,7-9H2,1-2H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyWKVZAXLETKJJFN-KFJBMODSSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds6

About N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine

N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine (PubChem CID 113371049) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine
PubChem CID113371049
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NC1CNC[C@@H]1OC
InChIInChI=1S/C13H21N3O2/c1-3-7-18-11-5-4-6-15-13(11)16-10-8-14-9-12(10)17-2/h4-6,10,12,14H,3,7-9H2,1-2H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyWKVZAXLETKJJFN-KFJBMODSSA-N
XLogP1.27
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 113371050
2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 74885215
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 106876065
N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
CID 113370946
5-[(3-propoxy-2-pyridinyl)amino]piperidin-2-one
CID 113370927
N-(morpholin-2-ylmethyl)-3-propoxypyridin-2-amine
CID 113371141
1-methyl-3-[(3-propoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106258259
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 62770940
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-[(2-aminocyclopentyl)methyl]-3-propoxypyridin-2-amine
CID 113371376
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine (CID 113371049) is N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine is CCCOc1cccnc1NC1CNC[C@@H]1OC.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine?
The InChIKey is WKVZAXLETKJJFN-KFJBMODSSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-18-11-5-4-6-15-13(11)16-10-8-14-9-12(10)17-2/h4-6,10,12,14H,3,7-9H2,1-2H3,(H,15,16)/t10?,12-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine?
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine is sourced from PubChem (CID 113371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).