2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide

C16H12ClN3O2S — CID 99840080

IUPAC2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1ccc(-n2ccc(=O)cc2)nc1
InChIInChI=1S/C16H12ClN3O2S/c17-14-3-2-13(23-14)9-16(22)19-11-1-4-15(18-10-11)20-7-5-12(21)6-8-20/h1-8,10H,9H2,(H,19,22)
InChIKeyYEXGTIMCPQQDFF-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.13
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide

2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 99840080) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide
PubChem CID99840080
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1ccc(-n2ccc(=O)cc2)nc1
InChIInChI=1S/C16H12ClN3O2S/c17-14-3-2-13(23-14)9-16(22)19-11-1-4-15(18-10-11)20-7-5-12(21)6-8-20/h1-8,10H,9H2,(H,19,22)
InChIKeyYEXGTIMCPQQDFF-UHFFFAOYSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-fluoro-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]benzamide
CID 99822385
N-(1-benzothiophen-5-yl)-2-(5-chlorothiophen-2-yl)acetamide
CID 41340494
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-(5-chlorothiophen-2-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41340579
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41340393
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
2-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 41340478
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011235
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 98407219

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide (CID 99840080) is 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(Cl)s1)Nc1ccc(-n2ccc(=O)cc2)nc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is YEXGTIMCPQQDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-14-3-2-13(23-14)9-16(22)19-11-1-4-15(18-10-11)20-7-5-12(21)6-8-20/h1-8,10H,9H2,(H,19,22).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide?
2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 345.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[6-(4-oxo-1-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 99840080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).