3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine

C12H17F2N3 — CID 112676147

IUPAC3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1ncc(F)cc1F)C1CCNC1
InChIInChI=1S/C12H17F2N3/c1-2-5-17(10-3-4-15-8-10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyXEEJWXPUYDSKOP-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.94
Rot. Bonds4

About 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine

3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 112676147) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID112676147
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1ncc(F)cc1F)C1CCNC1
InChIInChI=1S/C12H17F2N3/c1-2-5-17(10-3-4-15-8-10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyXEEJWXPUYDSKOP-UHFFFAOYSA-N
XLogP1.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79728362
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136989336
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
CID 63304442
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 112676147) is 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is CCCN(c1ncc(F)cc1F)C1CCNC1.
What is the InChIKey of 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is XEEJWXPUYDSKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-2-5-17(10-3-4-15-8-10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 241.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 112676147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).