N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide

C21H27N3O3S — CID 91197707

IUPACN-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
SMILESNN(C(=O)CCC1CCCCC1)C(=O)C1=CN(CC(=O)c2cccs2)C=CC1
InChIInChI=1S/C21H27N3O3S/c22-24(20(26)11-10-16-6-2-1-3-7-16)21(27)17-8-4-12-23(14-17)15-18(25)19-9-5-13-28-19/h4-5,9,12-14,16H,1-3,6-8,10-11,15,22H2
InChIKeyJRUNUVOXLBZYKY-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.62
Rot. Bonds7

About N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide

N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide (PubChem CID 91197707) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
PubChem CID91197707
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
SMILESNN(C(=O)CCC1CCCCC1)C(=O)C1=CN(CC(=O)c2cccs2)C=CC1
InChIInChI=1S/C21H27N3O3S/c22-24(20(26)11-10-16-6-2-1-3-7-16)21(27)17-8-4-12-23(14-17)15-18(25)19-9-5-13-28-19/h4-5,9,12-14,16H,1-3,6-8,10-11,15,22H2
InChIKeyJRUNUVOXLBZYKY-UHFFFAOYSA-N
XLogP3.62
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
CID 91528161
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate
CID 174658256
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
N-(2-chloroacetyl)thiophene-2-carbohydrazide
CID 67590903
N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide
CID 11300134
2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
CID 71650113
4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one
CID 64641156

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
The IUPAC name of N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide (CID 91197707) is N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide.
What is the SMILES notation for N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
The canonical SMILES for N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide is NN(C(=O)CCC1CCCCC1)C(=O)C1=CN(CC(=O)c2cccs2)C=CC1.
What is the InChIKey of N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
The InChIKey is JRUNUVOXLBZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c22-24(20(26)11-10-16-6-2-1-3-7-16)21(27)17-8-4-12-23(14-17)15-18(25)19-9-5-13-28-19/h4-5,9,12-14,16H,1-3,6-8,10-11,15,22H2.
What are the key properties of N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide has a molecular weight of 401.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide is sourced from PubChem (CID 91197707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).