N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine

C21H23N5S — CID 172601045

IUPACN-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine
SMILESC=CSN1CCC(Nc2cc3c(-c4ccncc4C)nccc3cn2)CC1
InChIInChI=1S/C21H23N5S/c1-3-27-26-10-6-17(7-11-26)25-20-12-19-16(14-24-20)4-9-23-21(19)18-5-8-22-13-15(18)2/h3-5,8-9,12-14,17H,1,6-7,10-11H2,2H3,(H,24,25)
InChIKeyXYGWSRCEWGDQKS-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.67
Rot. Bonds5

About N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine

N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine (PubChem CID 172601045) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine
PubChem CID172601045
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC NameN-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine
SMILESC=CSN1CCC(Nc2cc3c(-c4ccncc4C)nccc3cn2)CC1
InChIInChI=1S/C21H23N5S/c1-3-27-26-10-6-17(7-11-26)25-20-12-19-16(14-24-20)4-9-23-21(19)18-5-8-22-13-15(18)2/h3-5,8-9,12-14,17H,1,6-7,10-11H2,2H3,(H,24,25)
InChIKeyXYGWSRCEWGDQKS-UHFFFAOYSA-N
XLogP4.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-methyl-1H-indazol-5-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600777
[4-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]phenyl]methanol
CID 172600250
5-(3,6-dihydro-2H-pyran-4-yl)-N-(1-methylsulfanylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600610
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
1-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridine-1-carbonyl]pyrrolidine-3-carbonitrile
CID 172600222
[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 172600335
4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
N-cyclopropyl-5-ethenyl-4-methylpyridin-2-amine
CID 102545750
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
N-[1-[2-[[[5-[(4,4-difluorocyclohexyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]isoquinolin-6-yl]prop-2-enamide
CID 169187001
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
N-[2-[7-fluoro-2-[[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163104

Frequently Asked Questions

What is the IUPAC name of N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine?
The IUPAC name of N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine (CID 172601045) is N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine?
The canonical SMILES for N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine is C=CSN1CCC(Nc2cc3c(-c4ccncc4C)nccc3cn2)CC1.
What is the InChIKey of N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine?
The InChIKey is XYGWSRCEWGDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-3-27-26-10-6-17(7-11-26)25-20-12-19-16(14-24-20)4-9-23-21(19)18-5-8-22-13-15(18)2/h3-5,8-9,12-14,17H,1,6-7,10-11H2,2H3,(H,24,25).
What are the key properties of N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine?
N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine has a molecular weight of 377.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylsulfanylpiperidin-4-yl)-5-(3-methyl-4-pyridinyl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172601045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).