N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide

C17H14ClN3OS — CID 113033560

IUPACN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccc(NC(=O)c2cccs2)nc1
InChIInChI=1S/C17H14ClN3OS/c1-11-9-12(18)4-6-14(11)20-13-5-7-16(19-10-13)21-17(22)15-3-2-8-23-15/h2-10,20H,1H3,(H,19,21,22)
InChIKeyHMWMVXBZIIMMDA-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.10
Rot. Bonds4

About N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide

N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113033560) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113033560
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccc(NC(=O)c2cccs2)nc1
InChIInChI=1S/C17H14ClN3OS/c1-11-9-12(18)4-6-14(11)20-13-5-7-16(19-10-13)21-17(22)15-3-2-8-23-15/h2-10,20H,1H3,(H,19,21,22)
InChIKeyHMWMVXBZIIMMDA-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031951
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide (CID 113033560) is N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide is Cc1cc(Cl)ccc1Nc1ccc(NC(=O)c2cccs2)nc1.
What is the InChIKey of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is HMWMVXBZIIMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-9-12(18)4-6-14(11)20-13-5-7-16(19-10-13)21-17(22)15-3-2-8-23-15/h2-10,20H,1H3,(H,19,21,22).
What are the key properties of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113033560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).