2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide

C11H14N4OS — CID 167030632

IUPAC2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide
SMILESNC(=S)Nc1cc(C(=O)NCC2CC2)ccn1
InChIInChI=1S/C11H14N4OS/c12-11(17)15-9-5-8(3-4-13-9)10(16)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,16)(H3,12,13,15,17)
InChIKeyJIYBSOYKNOOFBC-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.88
Rot. Bonds4

About 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide

2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide (PubChem CID 167030632) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide
PubChem CID167030632
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide
SMILESNC(=S)Nc1cc(C(=O)NCC2CC2)ccn1
InChIInChI=1S/C11H14N4OS/c12-11(17)15-9-5-8(3-4-13-9)10(16)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,16)(H3,12,13,15,17)
InChIKeyJIYBSOYKNOOFBC-UHFFFAOYSA-N
XLogP0.88
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
CID 62243385
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62244029
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
2-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62237538
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide (CID 167030632) is 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide is NC(=S)Nc1cc(C(=O)NCC2CC2)ccn1.
What is the InChIKey of 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The InChIKey is JIYBSOYKNOOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-11(17)15-9-5-8(3-4-13-9)10(16)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,16)(H3,12,13,15,17).
What are the key properties of 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide?
2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 167030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).