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

C17H12N4OS — CID 113037150

IUPACN-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)c3cccs3)nc2)c1
InChIInChI=1S/C17H12N4OS/c18-10-12-3-1-4-13(9-12)20-14-6-7-16(19-11-14)21-17(22)15-5-2-8-23-15/h1-9,11,20H,(H,19,21,22)
InChIKeyUSRWKEXVMDINEL-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.01
Rot. Bonds4

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

N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113037150) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113037150
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)c3cccs3)nc2)c1
InChIInChI=1S/C17H12N4OS/c18-10-12-3-1-4-13(9-12)20-14-6-7-16(19-11-14)21-17(22)15-5-2-8-23-15/h1-9,11,20H,(H,19,21,22)
InChIKeyUSRWKEXVMDINEL-UHFFFAOYSA-N
XLogP4.01
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031951
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide (CID 113037150) is N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide is N#Cc1cccc(Nc2ccc(NC(=O)c3cccs3)nc2)c1.
What is the InChIKey of N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is USRWKEXVMDINEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-10-12-3-1-4-13(9-12)20-14-6-7-16(19-11-14)21-17(22)15-5-2-8-23-15/h1-9,11,20H,(H,19,21,22).
What are the key properties of N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113037150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).