5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine

C18H21F3N4O — CID 178017098

IUPAC5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine
SMILESF[C@@H]1COCC[C@H]1Nc1cc2c([C@@H]3CCNCC3(F)F)nccc2cn1
InChIInChI=1S/C18H21F3N4O/c19-14-9-26-6-3-15(14)25-16-7-12-11(8-24-16)1-5-23-17(12)13-2-4-22-10-18(13,20)21/h1,5,7-8,13-15,22H,2-4,6,9-10H2,(H,24,25)/t13-,14+,15+/m0/s1
InChIKeyNNMFJTNNOVBUSE-RRFJBIMHSA-N
MW366.39 g/mol
LogP2.88
Rot. Bonds3

About 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine

5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine (PubChem CID 178017098) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine
PubChem CID178017098
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine
SMILESF[C@@H]1COCC[C@H]1Nc1cc2c([C@@H]3CCNCC3(F)F)nccc2cn1
InChIInChI=1S/C18H21F3N4O/c19-14-9-26-6-3-15(14)25-16-7-12-11(8-24-16)1-5-23-17(12)13-2-4-22-10-18(13,20)21/h1,5,7-8,13-15,22H,2-4,6,9-10H2,(H,24,25)/t13-,14+,15+/m0/s1
InChIKeyNNMFJTNNOVBUSE-RRFJBIMHSA-N
XLogP2.88
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-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-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine
CID 178016987
2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
CID 71246766
6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995476
5-chloro-7-(4-chlorophenyl)-N-[(3S,4S)-3-fluorooxan-4-yl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688868
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-N-(4,4-dimethylcyclohexyl)-2-N-[(3S,4R)-3-fluorooxan-4-yl]-5-nitropyrimidine-2,4-diamine
CID 142554665
(3S,4R)-4-[[5-chloro-4-(3-piperidin-3-yl-1,2,4-thiadiazol-5-yl)-2-pyridinyl]amino]oxan-3-ol
CID 171661468
5-chloro-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(3-methylbutan-2-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688837
N-(4-fluorooxolan-3-yl)pyrazin-2-amine
CID 126856303
tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate
CID 178017091
2-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,8-diamine
CID 177003670
5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600610

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine?
The IUPAC name of 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine (CID 178017098) is 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine is F[C@@H]1COCC[C@H]1Nc1cc2c([C@@H]3CCNCC3(F)F)nccc2cn1.
What is the InChIKey of 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine?
The InChIKey is NNMFJTNNOVBUSE-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-14-9-26-6-3-15(14)25-16-7-12-11(8-24-16)1-5-23-17(12)13-2-4-22-10-18(13,20)21/h1,5,7-8,13-15,22H,2-4,6,9-10H2,(H,24,25)/t13-,14+,15+/m0/s1.
What are the key properties of 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine?
5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine has a molecular weight of 366.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine is sourced from PubChem (CID 178017098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).