N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C44H42N6O6S2 — CID 158996862

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2ccncc2C1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2cnccc2C1
InChIInChI=1S/2C22H21N3O3S/c26-22(25-13-11-18-15-23-12-10-19(18)16-25)24-14-17-6-8-21(9-7-17)29(27,28)20-4-2-1-3-5-20;26-22(25-13-11-18-10-12-23-15-19(18)16-25)24-14-17-6-8-21(9-7-17)29(27,28)20-4-2-1-3-5-20/h2*1-10,12,15H,11,13-14,16H2,(H,24,26)
InChIKeyJQVOFLWEAMVSIS-UHFFFAOYSA-N
MW814.99 g/mol
LogP6.36
Rot. Bonds8

About N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 158996862) has the molecular formula C44H42N6O6S2 and a molecular weight of 814.99 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID158996862
Molecular FormulaC44H42N6O6S2
Molecular Weight814.99 g/mol
Exact Mass814.26
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2ccncc2C1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2cnccc2C1
InChIInChI=1S/2C22H21N3O3S/c26-22(25-13-11-18-15-23-12-10-19(18)16-25)24-14-17-6-8-21(9-7-17)29(27,28)20-4-2-1-3-5-20;26-22(25-13-11-18-10-12-23-15-19(18)16-25)24-14-17-6-8-21(9-7-17)29(27,28)20-4-2-1-3-5-20/h2*1-10,12,15H,11,13-14,16H2,(H,24,26)
InChIKeyJQVOFLWEAMVSIS-UHFFFAOYSA-N
XLogP6.36
TPSA158.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 66634544
N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110354899
N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123433154
benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 118993560
N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 49262790
6-amino-N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 71727803
6-amino-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 71727804
N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118160918
2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 166282081
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 70298900
ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 23394084
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 158996862) is N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2ccncc2C1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2cnccc2C1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is JQVOFLWEAMVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21N3O3S/c26-22(25-13-11-18-15-23-12-10-19(18)16-25)24-14-17-6-8-21(9-7-17)29(27,28)20-4-2-1-3-5-20;26-22(25-13-11-18-10-12-23-15-19(18)16-25)24-14-17-6-8-21(9-7-17)29(27,28)20-4-2-1-3-5-20/h2*1-10,12,15H,11,13-14,16H2,(H,24,26).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 814.99 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 158996862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).