N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide

C39H43N7O6S2 — CID 158396442

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1
InChIInChI=1S/C21H22N4O3S.C18H21N3O3S/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;22-18(16-5-4-10-19-14-16)20-13-15-6-8-17(9-7-15)25(23,24)21-11-2-1-3-12-21/h4-11,15H,1-3,12-14H2,(H,23,26);4-10,14H,1-3,11-13H2,(H,20,22)
InChIKeyGXPGJXCUKZLXLN-UHFFFAOYSA-N
MW769.95 g/mol
LogP4.92
Rot. Bonds10

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 158396442) has the molecular formula C39H43N7O6S2 and a molecular weight of 769.95 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
PubChem CID158396442
Molecular FormulaC39H43N7O6S2
Molecular Weight769.95 g/mol
Exact Mass769.27
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1
InChIInChI=1S/C21H22N4O3S.C18H21N3O3S/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;22-18(16-5-4-10-19-14-16)20-13-15-6-8-17(9-7-15)25(23,24)21-11-2-1-3-12-21/h4-11,15H,1-3,12-14H2,(H,23,26);4-10,14H,1-3,11-13H2,(H,20,22)
InChIKeyGXPGJXCUKZLXLN-UHFFFAOYSA-N
XLogP4.92
TPSA171.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500769.95
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(pyridin-4-ylmethyl)-8-[[3-(pyridin-4-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
CID 126599626
N-(pyridin-3-ylmethyl)-8-[[3-(pyridin-3-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
CID 126599610
8,8'-Dithiobis[N-(2-pyridinylmethyl)-3-quinolinecarboxamide]
CID 126599616
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
CID 205726
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
CID 205728
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
CID 205730
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-pentyl-, di-p-toluenesulfonate
CID 205732
2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 16285595
Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-butyl-, di-p-toluenesulfonate
CID 203289
2-N,5-N-bis(1-butylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide;bis(4-methylbenzenesulfonate)
CID 21127283
N-[2-(dimethylamino)ethyl]-9-[6-(quinolin-7-ylsulfonylamino)hexylamino]acridine-4-carboxamide
CID 52947495
N-[2-(dimethylamino)ethyl]-9-[6-(quinolin-7-ylsulfonylamino)hexylamino]acridine-3-carboxamide
CID 52947496

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide (CID 158396442) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GXPGJXCUKZLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.C18H21N3O3S/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;22-18(16-5-4-10-19-14-16)20-13-15-6-8-17(9-7-15)25(23,24)21-11-2-1-3-12-21/h4-11,15H,1-3,12-14H2,(H,23,26);4-10,14H,1-3,11-13H2,(H,20,22).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 769.95 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 158396442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).