4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one

C12H17N5O2 — CID 102892680

IUPAC4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2ccnc(NN)c2)CC1=O
InChIInChI=1S/C12H17N5O2/c1-16-5-2-6-17(8-11(16)18)12(19)9-3-4-14-10(7-9)15-13/h3-4,7H,2,5-6,8,13H2,1H3,(H,14,15)
InChIKeyOMKYODJFAYSKKU-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.33
Rot. Bonds2

About 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102892680) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102892680
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2ccnc(NN)c2)CC1=O
InChIInChI=1S/C12H17N5O2/c1-16-5-2-6-17(8-11(16)18)12(19)9-3-4-14-10(7-9)15-13/h3-4,7H,2,5-6,8,13H2,1H3,(H,14,15)
InChIKeyOMKYODJFAYSKKU-UHFFFAOYSA-N
XLogP-0.33
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.33
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

4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 102891640
4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892425
(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 65286887
(2-hydrazinyl-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969077
4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one
CID 102892713
4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 103755533
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-hydrazinyl-4-pyridinyl)methanone
CID 63155013
(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 103538720
4-(3-hydroxy-4-iodobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102978212
4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102892693

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102892680) is 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)c2ccnc(NN)c2)CC1=O.
What is the InChIKey of 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is OMKYODJFAYSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16-5-2-6-17(8-11(16)18)12(19)9-3-4-14-10(7-9)15-13/h3-4,7H,2,5-6,8,13H2,1H3,(H,14,15).
What are the key properties of 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).