(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C12H17ClN4O2 — CID 62968195

IUPAC(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)nc(NN)c2)CCCO1
InChIInChI=1S/C12H17ClN4O2/c1-8-7-17(3-2-4-19-8)12(18)9-5-10(13)15-11(6-9)16-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyRTSBMZVCKXIFDD-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.27
Rot. Bonds2

About (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62968195) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62968195
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)nc(NN)c2)CCCO1
InChIInChI=1S/C12H17ClN4O2/c1-8-7-17(3-2-4-19-8)12(18)9-5-10(13)15-11(6-9)16-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyRTSBMZVCKXIFDD-UHFFFAOYSA-N
XLogP1.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 62242607
(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
CID 62243993
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62243807
(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
CID 99718166
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
CID 75469364

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62968195) is (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2cc(Cl)nc(NN)c2)CCCO1.
What is the InChIKey of (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is RTSBMZVCKXIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-8-7-17(3-2-4-19-8)12(18)9-5-10(13)15-11(6-9)16-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 284.75 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62968195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).