5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide

C17H14ClN3OS — CID 59525684

IUPAC5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3ccccc3Cl)cc2C(N)=O)n1
InChIInChI=1S/C17H14ClN3OS/c1-10-5-4-8-15(20-10)21-17-12(16(19)22)9-14(23-17)11-6-2-3-7-13(11)18/h2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyWHFCMMSQBVBJNM-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.61
Rot. Bonds4

About 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide

5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 59525684) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID59525684
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3ccccc3Cl)cc2C(N)=O)n1
InChIInChI=1S/C17H14ClN3OS/c1-10-5-4-8-15(20-10)21-17-12(16(19)22)9-14(23-17)11-6-2-3-7-13(11)18/h2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyWHFCMMSQBVBJNM-UHFFFAOYSA-N
XLogP4.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
2-[(6-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127138
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127139
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
5-Phenyl-2-[[6-(trifluoromethyl)pyridin-2-yl]amino]thiophene-3-carboxamide
CID 25127784
5-(2,4-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525628
5-(4-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525688
5-(2-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525717
2-[(6-Methylpyridin-2-yl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59525728
5-(2,3-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525760
2-[(6-Methylpyridin-2-yl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59526007
5-(3-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526068

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (CID 59525684) is 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is Cc1cccc(Nc2sc(-c3ccccc3Cl)cc2C(N)=O)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is WHFCMMSQBVBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-5-4-8-15(20-10)21-17-12(16(19)22)9-14(23-17)11-6-2-3-7-13(11)18/h2-9H,1H3,(H2,19,22)(H,20,21).
What are the key properties of 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).