8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide

C17H14N4O3S — CID 118660737

IUPAC8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2n1
InChIInChI=1S/C17H14N4O3S/c1-18-17(22)15-5-3-11-7-19-8-13(16(11)20-15)10-2-4-14-12(6-10)9-25(23,24)21-14/h2-8,21H,9H2,1H3,(H,18,22)
InChIKeyPQCODRGUOJKOCC-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.91
Rot. Bonds2

About 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide

8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide (PubChem CID 118660737) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide
PubChem CID118660737
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2n1
InChIInChI=1S/C17H14N4O3S/c1-18-17(22)15-5-3-11-7-19-8-13(16(11)20-15)10-2-4-14-12(6-10)9-25(23,24)21-14/h2-8,21H,9H2,1H3,(H,18,22)
InChIKeyPQCODRGUOJKOCC-UHFFFAOYSA-N
XLogP1.91
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methyl-8-(1-Methyl-2,2-Dioxo-2,3-Dihydro-1h-2lambda~6~,1-Benzothiazol-5-Yl)-1,6-Naphthyridine-2-Carboxamide
CID 118660787
N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
CID 146036007
4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951573
4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-(6-carbamoyl-3-pyridinyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143526
Indole-based 6-membered lactam, 3a
CID 44143543
N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66610019
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580
Indole-based 6-membered lactam, 1
CID 44143542
5-{3-[6-(1-Methanesulfonyl-1-methyl-ethyl)-quinolin-8-yl]-phenyl}-1-oxy-pyridine-2-carboxylic acid cyclopropylamide
CID 10481134
5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11304835
5-{4-[(methylsulfonyl)amino]phenyl}-1H-indole-7-carboxamide
CID 11336440

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide (CID 118660737) is 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide is CNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2n1.
What is the InChIKey of 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide?
The InChIKey is PQCODRGUOJKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-18-17(22)15-5-3-11-7-19-8-13(16(11)20-15)10-2-4-14-12(6-10)9-25(23,24)21-14/h2-8,21H,9H2,1H3,(H,18,22).
What are the key properties of 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide?
8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 118660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).