6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide

C12H8Cl2N2O2S — CID 22147914

IUPAC6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)c1sccc1Cl)c1ccc(Cl)nc1
InChIInChI=1S/C12H8Cl2N2O2S/c13-8-3-4-19-11(8)9(17)6-16-12(18)7-1-2-10(14)15-5-7/h1-5H,6H2,(H,16,18)
InChIKeyFSUHNJDANXGKOF-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.06
Rot. Bonds4

About 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide

6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 22147914) has the molecular formula C12H8Cl2N2O2S and a molecular weight of 315.18 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID22147914
Molecular FormulaC12H8Cl2N2O2S
Molecular Weight315.18 g/mol
Exact Mass313.97
IUPAC Name6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)c1sccc1Cl)c1ccc(Cl)nc1
InChIInChI=1S/C12H8Cl2N2O2S/c13-8-3-4-19-11(8)9(17)6-16-12(18)7-1-2-10(14)15-5-7/h1-5H,6H2,(H,16,18)
InChIKeyFSUHNJDANXGKOF-UHFFFAOYSA-N
XLogP3.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
2-[[(6-chloropyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628992
6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide (CID 22147914) is 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide is O=C(NCC(=O)c1sccc1Cl)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is FSUHNJDANXGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2S/c13-8-3-4-19-11(8)9(17)6-16-12(18)7-1-2-10(14)15-5-7/h1-5H,6H2,(H,16,18).
What are the key properties of 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 315.18 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 22147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).