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

C22H21N3O3S — CID 66634544

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2cnccc2C1
InChIInChI=1S/C22H21N3O3S/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/h1-10,12,15H,11,13-14,16H2,(H,24,26)
InChIKeyLCMCAJKZHQDLCA-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.18
Rot. Bonds4

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

N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (PubChem CID 66634544) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
PubChem CID66634544
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2cnccc2C1
InChIInChI=1S/C22H21N3O3S/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/h1-10,12,15H,11,13-14,16H2,(H,24,26)
InChIKeyLCMCAJKZHQDLCA-UHFFFAOYSA-N
XLogP3.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
6-amino-N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 71727803
N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 49262790
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
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-benzylazonane-1-carboxamide
CID 130689649
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (CID 66634544) is N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is 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?
The InChIKey is LCMCAJKZHQDLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/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/h1-10,12,15H,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-2,6-naphthyridine-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 66634544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).