N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide

C16H12N4O2S — CID 1449478

IUPACN-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)nc1)c1ccncc1
InChIInChI=1S/C16H12N4O2S/c21-15(11-5-7-17-8-6-11)19-12-3-4-14(18-10-12)20-16(22)13-2-1-9-23-13/h1-10H,(H,19,21)(H,18,20,22)
InChIKeyVJAWKIIOMUJTIG-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.04
Rot. Bonds4

About N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide

N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 1449478) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID1449478
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)nc1)c1ccncc1
InChIInChI=1S/C16H12N4O2S/c21-15(11-5-7-17-8-6-11)19-12-3-4-14(18-10-12)20-16(22)13-2-1-9-23-13/h1-10H,(H,19,21)(H,18,20,22)
InChIKeyVJAWKIIOMUJTIG-UHFFFAOYSA-N
XLogP3.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113026990

Frequently Asked Questions

What is the IUPAC name of N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide (CID 1449478) is N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)nc1)c1ccncc1.
What is the InChIKey of N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is VJAWKIIOMUJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-15(11-5-7-17-8-6-11)19-12-3-4-14(18-10-12)20-16(22)13-2-1-9-23-13/h1-10H,(H,19,21)(H,18,20,22).
What are the key properties of N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide?
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 1449478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).