1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide

C22H21N5O3 — CID 46690725

IUPAC1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)oc2ccccc12
InChIInChI=1S/C22H21N5O3/c1-14-17-4-2-3-5-18(17)30-20(14)22(29)26-25-21(28)16-8-10-27(11-9-16)19-7-6-15(12-23)13-24-19/h2-7,13,16H,8-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyBHDOWHZYFRRXOZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.69
Rot. Bonds3

About 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide

1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 46690725) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID46690725
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)oc2ccccc12
InChIInChI=1S/C22H21N5O3/c1-14-17-4-2-3-5-18(17)30-20(14)22(29)26-25-21(28)16-8-10-27(11-9-16)19-7-6-15(12-23)13-24-19/h2-7,13,16H,8-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyBHDOWHZYFRRXOZ-UHFFFAOYSA-N
XLogP2.69
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide with MolForge

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588287
1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 16600536

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide (CID 46690725) is 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)oc2ccccc12.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is BHDOWHZYFRRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-17-4-2-3-5-18(17)30-20(14)22(29)26-25-21(28)16-8-10-27(11-9-16)19-7-6-15(12-23)13-24-19/h2-7,13,16H,8-11H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 46690725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).