(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone

C16H18N4O — CID 62236169

IUPAC(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESNNc1ncccc1C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H18N4O/c17-19-15-14(7-4-9-18-15)16(21)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-7,9,13H,8,10-11,17H2,(H,18,19)
InChIKeyRYEIBSZYKWVOSA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.00
Rot. Bonds3

About (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone

(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 62236169) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID62236169
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESNNc1ncccc1C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H18N4O/c17-19-15-14(7-4-9-18-15)16(21)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-7,9,13H,8,10-11,17H2,(H,18,19)
InChIKeyRYEIBSZYKWVOSA-UHFFFAOYSA-N
XLogP2.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
(2-hydrazinyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170497
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
[3-[(3-phenylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472032
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62930011
(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 114922444
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 62236169) is (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone is NNc1ncccc1C(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is RYEIBSZYKWVOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-19-15-14(7-4-9-18-15)16(21)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-7,9,13H,8,10-11,17H2,(H,18,19).
What are the key properties of (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62236169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).