6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine

C25H25N5O2S — CID 71618716

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)ccn1
InChIInChI=1S/C25H25N5O2S/c1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-33(31,32)13-11-30/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,29)
InChIKeyDBYZASWWMCKFKK-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.85
Rot. Bonds5

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 71618716) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID71618716
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)ccn1
InChIInChI=1S/C25H25N5O2S/c1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-33(31,32)13-11-30/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,29)
InChIKeyDBYZASWWMCKFKK-UHFFFAOYSA-N
XLogP3.85
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 10273318
CID 10309014
CID 10309014
CID 25020308
CID 25020308
CID 44305632
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CID 46865530
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CID 46899899
CID 46899899
CID 46899903
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CID 46901862
CID 46901862

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 71618716) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)ccn1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is DBYZASWWMCKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-33(31,32)13-11-30/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,29).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 459.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).