2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C17H14ClN3OS — CID 4998221

IUPAC2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c18-12-5-7-13(8-6-12)21-16-15(4-1-9-19-16)17(22)20-11-14-3-2-10-23-14/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKeyVNSSUKNWKHKWDP-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.47
Rot. Bonds5

About 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 4998221) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID4998221
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c18-12-5-7-13(8-6-12)21-16-15(4-1-9-19-16)17(22)20-11-14-3-2-10-23-14/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKeyVNSSUKNWKHKWDP-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441146
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 68728428
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 4998221) is 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VNSSUKNWKHKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-12-5-7-13(8-6-12)21-16-15(4-1-9-19-16)17(22)20-11-14-3-2-10-23-14/h1-10H,11H2,(H,19,21)(H,20,22).
What are the key properties of 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4998221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).