N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide

C12H14N2OS — CID 15994001

IUPACN-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
SMILESC=CCSc1ncccc1C(=O)NC1CC1
InChIInChI=1S/C12H14N2OS/c1-2-8-16-12-10(4-3-7-13-12)11(15)14-9-5-6-9/h2-4,7,9H,1,5-6,8H2,(H,14,15)
InChIKeyVTUSTJVLMWKUSN-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.25
Rot. Bonds5

About N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide

N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide (PubChem CID 15994001) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
PubChem CID15994001
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
SMILESC=CCSc1ncccc1C(=O)NC1CC1
InChIInChI=1S/C12H14N2OS/c1-2-8-16-12-10(4-3-7-13-12)11(15)14-9-5-6-9/h2-4,7,9H,1,5-6,8H2,(H,14,15)
InChIKeyVTUSTJVLMWKUSN-UHFFFAOYSA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
CID 44760772
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
CID 62625755
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-prop-2-enylsulfanyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 5190615
2-[2-(3-carbamoylphenyl)ethylsulfanyl]-N-cyclohexylpyridine-3-carboxamide
CID 24965323
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 124783105
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 2403044
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide (CID 15994001) is N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide is C=CCSc1ncccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
The InChIKey is VTUSTJVLMWKUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-8-16-12-10(4-3-7-13-12)11(15)14-9-5-6-9/h2-4,7,9H,1,5-6,8H2,(H,14,15).
What are the key properties of N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 15994001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).