5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine

C19H24N4OS — CID 172600610

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
SMILESCSN1CCC(Nc2cc3c(C4=CCOCC4)nccc3cn2)CC1
InChIInChI=1S/C19H24N4OS/c1-25-23-8-3-16(4-9-23)22-18-12-17-15(13-21-18)2-7-20-19(17)14-5-10-24-11-6-14/h2,5,7,12-13,16H,3-4,6,8-11H2,1H3,(H,21,22)
InChIKeyTYQZTBBNZASXHG-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.59
Rot. Bonds4

About 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine

5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine (PubChem CID 172600610) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
PubChem CID172600610
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
SMILESCSN1CCC(Nc2cc3c(C4=CCOCC4)nccc3cn2)CC1
InChIInChI=1S/C19H24N4OS/c1-25-23-8-3-16(4-9-23)22-18-12-17-15(13-21-18)2-7-20-19(17)14-5-10-24-11-6-14/h2,5,7,12-13,16H,3-4,6,8-11H2,1H3,(H,21,22)
InChIKeyTYQZTBBNZASXHG-UHFFFAOYSA-N
XLogP3.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
CID 172600250
5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600777
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine
CID 172601045
1-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridine-1-carbonyl]pyrrolidine-3-carbonitrile
CID 172600222
4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine
CID 164564724
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
CID 170740161

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine (CID 172600610) is 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine is CSN1CCC(Nc2cc3c(C4=CCOCC4)nccc3cn2)CC1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The InChIKey is TYQZTBBNZASXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-25-23-8-3-16(4-9-23)22-18-12-17-15(13-21-18)2-7-20-19(17)14-5-10-24-11-6-14/h2,5,7,12-13,16H,3-4,6,8-11H2,1H3,(H,21,22).
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine has a molecular weight of 356.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).