N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide

C17H15N3OS — CID 113031418

IUPACN-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccs3)nc2)c1
InChIInChI=1S/C17H15N3OS/c1-12-4-2-5-13(10-12)19-14-7-8-16(18-11-14)20-17(21)15-6-3-9-22-15/h2-11,19H,1H3,(H,18,20,21)
InChIKeyACYATUPGOVIBCC-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.45
Rot. Bonds4

About N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide

N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113031418) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113031418
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccs3)nc2)c1
InChIInChI=1S/C17H15N3OS/c1-12-4-2-5-13(10-12)19-14-7-8-16(18-11-14)20-17(21)15-6-3-9-22-15/h2-11,19H,1H3,(H,18,20,21)
InChIKeyACYATUPGOVIBCC-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.45
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-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide (CID 113031418) is N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide is Cc1cccc(Nc2ccc(NC(=O)c3cccs3)nc2)c1.
What is the InChIKey of N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is ACYATUPGOVIBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-4-2-5-13(10-12)19-14-7-8-16(18-11-14)20-17(21)15-6-3-9-22-15/h2-11,19H,1H3,(H,18,20,21).
What are the key properties of N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113031418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).