ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen

C23H37N5O3S — CID 172600523

IUPACethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
SMILESCC.CC1CCCN(C(=O)c2nccc3cnc(NC4CCN(S(C)(=O)=O)CC4)cc23)C1.[H][H]
InChIInChI=1S/C21H29N5O3S.C2H6.H2/c1-15-4-3-9-25(14-15)21(27)20-18-12-19(23-13-16(18)5-8-22-20)24-17-6-10-26(11-7-17)30(2,28)29;1-2;/h5,8,12-13,15,17H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24);1-2H3;1H
InChIKeyQJUGIEAJLCGFQS-UHFFFAOYSA-N
MW463.65 g/mol
LogP3.61
Rot. Bonds4

About ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen

ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen (PubChem CID 172600523) has the molecular formula C23H37N5O3S and a molecular weight of 463.65 g/mol. Its IUPAC name is ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
PubChem CID172600523
Molecular FormulaC23H37N5O3S
Molecular Weight463.65 g/mol
Exact Mass463.26
IUPAC Nameethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
SMILESCC.CC1CCCN(C(=O)c2nccc3cnc(NC4CCN(S(C)(=O)=O)CC4)cc23)C1.[H][H]
InChIInChI=1S/C21H29N5O3S.C2H6.H2/c1-15-4-3-9-25(14-15)21(27)20-18-12-19(23-13-16(18)5-8-22-20)24-17-6-10-26(11-7-17)30(2,28)29;1-2;/h5,8,12-13,15,17H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24);1-2H3;1H
InChIKeyQJUGIEAJLCGFQS-UHFFFAOYSA-N
XLogP3.61
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridine-1-carbonyl]pyrrolidine-3-carbonitrile
CID 172600222
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389
tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]azepane-1-carboxylate
CID 178016979
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate
CID 178017091
7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
CID 172601278
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen?
The IUPAC name of ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen (CID 172600523) is ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen.
What is the SMILES notation for ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen?
The canonical SMILES for ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen is CC.CC1CCCN(C(=O)c2nccc3cnc(NC4CCN(S(C)(=O)=O)CC4)cc23)C1.[H][H].
What is the InChIKey of ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen?
The InChIKey is QJUGIEAJLCGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S.C2H6.H2/c1-15-4-3-9-25(14-15)21(27)20-18-12-19(23-13-16(18)5-8-22-20)24-17-6-10-26(11-7-17)30(2,28)29;1-2;/h5,8,12-13,15,17H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24);1-2H3;1H.
What are the key properties of ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen?
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen has a molecular weight of 463.65 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 172600523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).