1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone

C14H14N4O — CID 113436314

IUPAC1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(C(=O)N2Cc3ccccc3C2)nc1
InChIInChI=1S/C14H14N4O/c15-17-12-5-6-13(16-7-12)14(19)18-8-10-3-1-2-4-11(10)9-18/h1-7,17H,8-9,15H2
InChIKeyJHPNAAGSRPLXQH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.52
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone

1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone (PubChem CID 113436314) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
PubChem CID113436314
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(C(=O)N2Cc3ccccc3C2)nc1
InChIInChI=1S/C14H14N4O/c15-17-12-5-6-13(16-7-12)14(19)18-8-10-3-1-2-4-11(10)9-18/h1-7,17H,8-9,15H2
InChIKeyJHPNAAGSRPLXQH-UHFFFAOYSA-N
XLogP1.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.52
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

azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109191980
(5-hydrazinyl-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 104642134
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
N-(2,3-dihydro-1H-inden-2-yl)-5-hydrazinylpyridine-2-carboxamide
CID 114009488
(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642815
(5-hydrazinyl-2-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 104642344
(4-ethyl-4-methylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436346
(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104642780
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone (CID 113436314) is 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone is NNc1ccc(C(=O)N2Cc3ccccc3C2)nc1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is JHPNAAGSRPLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-17-12-5-6-13(16-7-12)14(19)18-8-10-3-1-2-4-11(10)9-18/h1-7,17H,8-9,15H2.
What are the key properties of 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 254.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 113436314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).