1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone

C15H16N4O — CID 81255936

IUPAC1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
SMILESCc1cc(NN)c(C(=O)N2Cc3ccccc3C2)cn1
InChIInChI=1S/C15H16N4O/c1-10-6-14(18-16)13(7-17-10)15(20)19-8-11-4-2-3-5-12(11)9-19/h2-7H,8-9,16H2,1H3,(H,17,18)
InChIKeyFWCLMJSOGIZLSG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.83
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone

1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone (PubChem CID 81255936) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
PubChem CID81255936
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
SMILESCc1cc(NN)c(C(=O)N2Cc3ccccc3C2)cn1
InChIInChI=1S/C15H16N4O/c1-10-6-14(18-16)13(7-17-10)15(20)19-8-11-4-2-3-5-12(11)9-19/h2-7H,8-9,16H2,1H3,(H,17,18)
InChIKeyFWCLMJSOGIZLSG-UHFFFAOYSA-N
XLogP1.83
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone (CID 81255936) is 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone is Cc1cc(NN)c(C(=O)N2Cc3ccccc3C2)cn1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The InChIKey is FWCLMJSOGIZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-6-14(18-16)13(7-17-10)15(20)19-8-11-4-2-3-5-12(11)9-19/h2-7H,8-9,16H2,1H3,(H,17,18).
What are the key properties of 1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone has a molecular weight of 268.32 g/mol, XLogP of 1.83, 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-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 81255936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).