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

C12H18N4O2 — CID 62967501

IUPAC(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2NN)CCCO1
InChIInChI=1S/C12H18N4O2/c1-9-8-16(6-3-7-18-9)12(17)10-4-2-5-14-11(10)15-13/h2,4-5,9H,3,6-8,13H2,1H3,(H,14,15)
InChIKeyCFRCYOYIXKDJFY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds2

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

(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62967501) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62967501
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2NN)CCCO1
InChIInChI=1S/C12H18N4O2/c1-9-8-16(6-3-7-18-9)12(17)10-4-2-5-14-11(10)15-13/h2,4-5,9H,3,6-8,13H2,1H3,(H,14,15)
InChIKeyCFRCYOYIXKDJFY-UHFFFAOYSA-N
XLogP0.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-(3-phenylpyrrolidin-1-yl)methanone
CID 62236169
(2,5-dimethylmorpholin-4-yl)-(2-hydrazinyl-3-pyridinyl)methanone
CID 62242697
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(2-hydrazinyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170497
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62967501) is (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2cccnc2NN)CCCO1.
What is the InChIKey of (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is CFRCYOYIXKDJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-8-16(6-3-7-18-9)12(17)10-4-2-5-14-11(10)15-13/h2,4-5,9H,3,6-8,13H2,1H3,(H,14,15).
What are the key properties of (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62967501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).