N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide

C18H17N3O2S — CID 166360808

IUPACN-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccsc12)c1c[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C18H17N3O2S/c22-16-13-9-19-6-4-15(13)20-10-14(16)18(23)21-8-12-3-1-2-11-5-7-24-17(11)12/h1-3,5,7,10,19H,4,6,8-9H2,(H,20,22)(H,21,23)
InChIKeyJEEILSIMPWVEHB-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.17
Rot. Bonds3

About N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide

N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 166360808) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
PubChem CID166360808
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccsc12)c1c[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C18H17N3O2S/c22-16-13-9-19-6-4-15(13)20-10-14(16)18(23)21-8-12-3-1-2-11-5-7-24-17(11)12/h1-3,5,7,10,19H,4,6,8-9H2,(H,20,22)(H,21,23)
InChIKeyJEEILSIMPWVEHB-UHFFFAOYSA-N
XLogP2.17
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 18427603
4-(1-benzothiophen-7-ylmethylcarbamoyl)-2,5-dimethylthiophene-3-carboxylic acid
CID 167966420
N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585352
N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 18427592
N-(2-chloroethyl)-1-benzothiophene-7-carboxamide
CID 130770736
1-(1-benzothiophen-7-ylmethyl)-3-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]urea
CID 126822068
2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide
CID 167917843
N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
CID 131228188
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813774
N-methyl-4H-thieno[3,2-b]pyrrole-6-carboxamide
CID 142514452
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489176

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide (CID 166360808) is N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide is O=C(NCc1cccc2ccsc12)c1c[nH]c2c(c1=O)CNCC2.
What is the InChIKey of N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is JEEILSIMPWVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16-13-9-19-6-4-15(13)20-10-14(16)18(23)21-8-12-3-1-2-11-5-7-24-17(11)12/h1-3,5,7,10,19H,4,6,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide?
N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-7-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 166360808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).