N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide

C14H10N4OS — CID 776918

IUPACN-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=S)NC(=O)c1cccnc1
InChIInChI=1S/C14H10N4OS/c15-8-10-4-1-2-6-12(10)17-14(20)18-13(19)11-5-3-7-16-9-11/h1-7,9H,(H2,17,18,19,20)
InChIKeyJMJLEBWTWRSAQN-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.08
Rot. Bonds2

About N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide

N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide (PubChem CID 776918) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
PubChem CID776918
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC NameN-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=S)NC(=O)c1cccnc1
InChIInChI=1S/C14H10N4OS/c15-8-10-4-1-2-6-12(10)17-14(20)18-13(19)11-5-3-7-16-9-11/h1-7,9H,(H2,17,18,19,20)
InChIKeyJMJLEBWTWRSAQN-UHFFFAOYSA-N
XLogP2.08
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Nicotinanilide
CID 74463
N-Benzoyl-N'-(3-pyridinyl)thiourea
CID 682329
4-methyl-N-[(pyridin-3-ylmethyl)carbamothioyl]benzamide
CID 880827
N-(2,6-dimethylphenyl)nicotinamide
CID 767628
2-mercapto-3-pyridin-3-ylquinazolin-4(3H)-one
CID 2725832
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 710792
N-(3-methylphenyl)pyridine-3-carboxamide
CID 532819
2-amino-N-(pyridin-2-yl)benzamide
CID 276325
1-(3-Methylsulfanyl-phenyl)-3-(pyridine-3-carbonyl)-thiourea
CID 798445
1-(2-Fluoro-benzoyl)-3-pyridin-3-ylmethyl-thiourea
CID 801772
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyridine-3-carboxamide
CID 822257
N-[4-(acetylcarbamothioylamino)phenyl]pyridine-3-carboxamide
CID 930177

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide (CID 776918) is N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide is N#Cc1ccccc1NC(=S)NC(=O)c1cccnc1.
What is the InChIKey of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
The InChIKey is JMJLEBWTWRSAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-8-10-4-1-2-6-12(10)17-14(20)18-13(19)11-5-3-7-16-9-11/h1-7,9H,(H2,17,18,19,20).
What are the key properties of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 776918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).