N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

C17H13N3O2S — CID 822274

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccnc1
InChIInChI=1S/C17H13N3O2S/c21-16(12-4-2-8-18-11-12)19-13-5-1-6-14(10-13)20-17(22)15-7-3-9-23-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyLEEPVDBRADWUAF-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.65
Rot. Bonds4

About N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 822274) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
PubChem CID822274
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccnc1
InChIInChI=1S/C17H13N3O2S/c21-16(12-4-2-8-18-11-12)19-13-5-1-6-14(10-13)20-17(22)15-7-3-9-23-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyLEEPVDBRADWUAF-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N-(4-Pyridinyl)-2-thiophenecarboxamide
CID 676266
N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 44454416
SX-517
CID 46897162
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
N'-[(E)-2-thienylmethylidene]nicotinohydrazide
CID 6876295
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
N-(3-{2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl}phenyl)pyridine-3-carboxamide
CID 25138000
N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 686151
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (CID 822274) is N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccnc1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is LEEPVDBRADWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-16(12-4-2-8-18-11-12)19-13-5-1-6-14(10-13)20-17(22)15-7-3-9-23-15/h1-11H,(H,19,21)(H,20,22).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 822274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).