N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide

C18H17N3OS — CID 113031951

IUPACN-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccs3)nc2)c(C)c1
InChIInChI=1S/C18H17N3OS/c1-12-5-7-15(13(2)10-12)20-14-6-8-17(19-11-14)21-18(22)16-4-3-9-23-16/h3-11,20H,1-2H3,(H,19,21,22)
InChIKeyKZFFNNSXSJVFIS-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.76
Rot. Bonds4

About N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide

N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113031951) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113031951
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccs3)nc2)c(C)c1
InChIInChI=1S/C18H17N3OS/c1-12-5-7-15(13(2)10-12)20-14-6-8-17(19-11-14)21-18(22)16-4-3-9-23-16/h3-11,20H,1-2H3,(H,19,21,22)
InChIKeyKZFFNNSXSJVFIS-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556
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-[(2-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449384
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 18419410
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide (CID 113031951) is N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide is Cc1ccc(Nc2ccc(NC(=O)c3cccs3)nc2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is KZFFNNSXSJVFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-5-7-15(13(2)10-12)20-14-6-8-17(19-11-14)21-18(22)16-4-3-9-23-16/h3-11,20H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113031951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).