N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide

C21H17N3O2S — CID 16905679

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc2ccccc12
InChIInChI=1S/C21H17N3O2S/c25-20-11-10-18(19-9-4-14-27-19)23-24(20)13-12-22-21(26)17-8-3-6-15-5-1-2-7-16(15)17/h1-11,14H,12-13H2,(H,22,26)
InChIKeyUOLJUSKFCKPILS-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 16905679) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
PubChem CID16905679
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc2ccccc12
InChIInChI=1S/C21H17N3O2S/c25-20-11-10-18(19-9-4-14-27-19)23-24(20)13-12-22-21(26)17-8-3-6-15-5-1-2-7-16(15)17/h1-11,14H,12-13H2,(H,22,26)
InChIKeyUOLJUSKFCKPILS-UHFFFAOYSA-N
XLogP3.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121034526
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
2-(4-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
CID 16675150
3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121034572
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049951
(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807296
(2S)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807295

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide (CID 16905679) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is UOLJUSKFCKPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-20-11-10-18(19-9-4-14-27-19)23-24(20)13-12-22-21(26)17-8-3-6-15-5-1-2-7-16(15)17/h1-11,14H,12-13H2,(H,22,26).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 16905679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).