1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine

C21H22N4O2S — CID 59826214

IUPAC1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2cccnc2C1
InChIInChI=1S/C21H22N4O2S/c26-28(27,25-13-10-18-4-3-12-24-21(18)16-25)20-8-6-17(7-9-20)14-22-15-19-5-1-2-11-23-19/h1-9,11-12,22H,10,13-16H2
InChIKeyDXCICHIJBUXLQD-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 59826214) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID59826214
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2cccnc2C1
InChIInChI=1S/C21H22N4O2S/c26-28(27,25-13-10-18-4-3-12-24-21(18)16-25)20-8-6-17(7-9-20)14-22-15-19-5-1-2-11-23-19/h1-9,11-12,22H,10,13-16H2
InChIKeyDXCICHIJBUXLQD-UHFFFAOYSA-N
XLogP2.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 59826214) is 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine is O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2cccnc2C1.
What is the InChIKey of 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is DXCICHIJBUXLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-28(27,25-13-10-18-4-3-12-24-21(18)16-25)20-8-6-17(7-9-20)14-22-15-19-5-1-2-11-23-19/h1-9,11-12,22H,10,13-16H2.
What are the key properties of 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 394.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 59826214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).