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

C14H21ClN4O — CID 65286839

IUPAC(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cc(Cl)nc(NN)c2)CC1
InChIInChI=1S/C14H21ClN4O/c1-14(2)4-3-6-19(7-5-14)13(20)10-8-11(15)17-12(9-10)18-16/h8-9H,3-7,16H2,1-2H3,(H,17,18)
InChIKeySWNLWGMAXQJNCH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.67
Rot. Bonds2

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

(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 65286839) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
PubChem CID65286839
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cc(Cl)nc(NN)c2)CC1
InChIInChI=1S/C14H21ClN4O/c1-14(2)4-3-6-19(7-5-14)13(20)10-8-11(15)17-12(9-10)18-16/h8-9H,3-7,16H2,1-2H3,(H,17,18)
InChIKeySWNLWGMAXQJNCH-UHFFFAOYSA-N
XLogP2.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 65286887
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 62242607
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968195
(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
CID 62243993
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113379995

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone (CID 65286839) is (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone is CC1(C)CCCN(C(=O)c2cc(Cl)nc(NN)c2)CC1.
What is the InChIKey of (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is SWNLWGMAXQJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-14(2)4-3-6-19(7-5-14)13(20)10-8-11(15)17-12(9-10)18-16/h8-9H,3-7,16H2,1-2H3,(H,17,18).
What are the key properties of (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone?
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 65286839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).