N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide

C16H12N4OS — CID 10086587

IUPACN-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=C(c1ccccn1)c1ccccn1)c1cccs1
InChIInChI=1S/C16H12N4OS/c21-16(14-8-5-11-22-14)20-19-15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-11H,(H,20,21)
InChIKeyBZIUUPPTELHLQB-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.72
Rot. Bonds4

About N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide

N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide (PubChem CID 10086587) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide
PubChem CID10086587
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC NameN-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=C(c1ccccn1)c1ccccn1)c1cccs1
InChIInChI=1S/C16H12N4OS/c21-16(14-8-5-11-22-14)20-19-15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-11H,(H,20,21)
InChIKeyBZIUUPPTELHLQB-UHFFFAOYSA-N
XLogP2.72
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
N-hydroxy-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 10242569
N'-[(5-methyl-2-thienyl)methylene]isonicotinohydrazide
CID 5469564
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N'-[(E)-2-thienylmethylidene]nicotinohydrazide
CID 6876295
Isonicotinic acid, 2-thenylidenehydrazide
CID 5469562
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
N-[(E)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]pyridine-3-carboxamide
CID 7219020
N-[[3-keto-3-(2-thienyl)-1-(trifluoromethyl)propylidene]amino]isonicotinamide
CID 9662919
5-ethyl-N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 25237223
5-methyl-N'-[(Z)-pyridin-3-ylmethylidene]thiophene-2-carbohydrazide
CID 25237232
3-methyl-N'-[(1E)-1-(pyridin-3-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237301

Frequently Asked Questions

What is the IUPAC name of N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide?
The IUPAC name of N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide (CID 10086587) is N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide?
The canonical SMILES for N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide is O=C(NN=C(c1ccccn1)c1ccccn1)c1cccs1.
What is the InChIKey of N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide?
The InChIKey is BZIUUPPTELHLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-16(14-8-5-11-22-14)20-19-15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-11H,(H,20,21).
What are the key properties of N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide?
N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipyridin-2-ylmethylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 10086587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).