N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide

C16H12ClN3OS — CID 113018501

IUPACN-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nc1)c1cccs1
InChIInChI=1S/C16H12ClN3OS/c17-11-3-1-4-12(9-11)19-15-7-6-13(10-18-15)20-16(21)14-5-2-8-22-14/h1-10H,(H,18,19)(H,20,21)
InChIKeySHVDJRRQNJKLDF-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.79
Rot. Bonds4

About N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide

N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 113018501) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID113018501
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC NameN-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nc1)c1cccs1
InChIInChI=1S/C16H12ClN3OS/c17-11-3-1-4-12(9-11)19-15-7-6-13(10-18-15)20-16(21)14-5-2-8-22-14/h1-10H,(H,18,19)(H,20,21)
InChIKeySHVDJRRQNJKLDF-UHFFFAOYSA-N
XLogP4.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide (CID 113018501) is N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2cccc(Cl)c2)nc1)c1cccs1.
What is the InChIKey of N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is SHVDJRRQNJKLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-11-3-1-4-12(9-11)19-15-7-6-13(10-18-15)20-16(21)14-5-2-8-22-14/h1-10H,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide?
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113018501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).