7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine

C20H28ClN5O2S — CID 172601278

IUPAC7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)N1CCC(Nc2cc3c(N4CCCCC4)nc(CCl)cc3cn2)CC1
InChIInChI=1S/C20H28ClN5O2S/c1-29(27,28)26-9-5-16(6-10-26)23-19-12-18-15(14-22-19)11-17(13-21)24-20(18)25-7-3-2-4-8-25/h11-12,14,16H,2-10,13H2,1H3,(H,22,23)
InChIKeyQYMNOTJGACGPFQ-UHFFFAOYSA-N
MW438.00 g/mol
LogP3.19
Rot. Bonds5

About 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine

7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine (PubChem CID 172601278) has the molecular formula C20H28ClN5O2S and a molecular weight of 438.00 g/mol. Its IUPAC name is 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
PubChem CID172601278
Molecular FormulaC20H28ClN5O2S
Molecular Weight438.00 g/mol
Exact Mass437.17
IUPAC Name7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)N1CCC(Nc2cc3c(N4CCCCC4)nc(CCl)cc3cn2)CC1
InChIInChI=1S/C20H28ClN5O2S/c1-29(27,28)26-9-5-16(6-10-26)23-19-12-18-15(14-22-19)11-17(13-21)24-20(18)25-7-3-2-4-8-25/h11-12,14,16H,2-10,13H2,1H3,(H,22,23)
InChIKeyQYMNOTJGACGPFQ-UHFFFAOYSA-N
XLogP3.19
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.00
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
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
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
cis-(1R,2R)-2-[[6-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]-1-methylcyclopentan-1-ol
CID 169076020
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
[5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]-4-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
CID 167193464
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 156533351
7-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridine-3-carbonitrile;1-cyclopentyl-7-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxo-1,6-naphthyridine-3-carbonitrile;1-methylsulfonylpiperidin-4-amine
CID 167678680

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine?
The IUPAC name of 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine (CID 172601278) is 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine.
What is the SMILES notation for 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine?
The canonical SMILES for 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine is CS(=O)(=O)N1CCC(Nc2cc3c(N4CCCCC4)nc(CCl)cc3cn2)CC1.
What is the InChIKey of 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine?
The InChIKey is QYMNOTJGACGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2S/c1-29(27,28)26-9-5-16(6-10-26)23-19-12-18-15(14-22-19)11-17(13-21)24-20(18)25-7-3-2-4-8-25/h11-12,14,16H,2-10,13H2,1H3,(H,22,23).
What are the key properties of 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine?
7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine has a molecular weight of 438.00 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172601278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).