2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide

C22H14Cl2N2O2S — CID 2814785

IUPAC2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl2N2O2S/c23-15-5-3-14(4-6-15)20-12-17(13-29-20)26-21(27)19-2-1-11-25-22(19)28-18-9-7-16(24)8-10-18/h1-13H,(H,26,27)
InChIKeyMQUYBRDQLKNDQZ-UHFFFAOYSA-N
MW441.34 g/mol
LogP7.16
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide

2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide (PubChem CID 2814785) has the molecular formula C22H14Cl2N2O2S and a molecular weight of 441.34 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide
PubChem CID2814785
Molecular FormulaC22H14Cl2N2O2S
Molecular Weight441.34 g/mol
Exact Mass440.02
IUPAC Name2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl2N2O2S/c23-15-5-3-14(4-6-15)20-12-17(13-29-20)26-21(27)19-2-1-11-25-22(19)28-18-9-7-16(24)8-10-18/h1-13H,(H,26,27)
InChIKeyMQUYBRDQLKNDQZ-UHFFFAOYSA-N
XLogP7.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 12894430
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 2814314
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
2-(4-chlorophenoxy)-N-[3-[2-(7-methoxy-3,3-dimethyl-4H-isoquinolin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 91347149
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide
CID 2798741
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide (CID 2814785) is 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide is O=C(Nc1csc(-c2ccc(Cl)cc2)c1)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide?
The InChIKey is MQUYBRDQLKNDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O2S/c23-15-5-3-14(4-6-15)20-12-17(13-29-20)26-21(27)19-2-1-11-25-22(19)28-18-9-7-16(24)8-10-18/h1-13H,(H,26,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide has a molecular weight of 441.34 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2814785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).