N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide

C19H27ClFN3O2 — CID 161227664

IUPACN'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide
SMILESO=C(NNCCC1CCC(c2ncc(F)cc2Cl)CC1)C1CCOCC1
InChIInChI=1S/C19H27ClFN3O2/c20-17-11-16(21)12-22-18(17)14-3-1-13(2-4-14)5-8-23-24-19(25)15-6-9-26-10-7-15/h11-15,23H,1-10H2,(H,24,25)
InChIKeyUYIJIXBQVZGZIT-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.59
Rot. Bonds6

About N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide

N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide (PubChem CID 161227664) has the molecular formula C19H27ClFN3O2 and a molecular weight of 383.90 g/mol. Its IUPAC name is N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide
PubChem CID161227664
Molecular FormulaC19H27ClFN3O2
Molecular Weight383.90 g/mol
Exact Mass383.18
IUPAC NameN'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide
SMILESO=C(NNCCC1CCC(c2ncc(F)cc2Cl)CC1)C1CCOCC1
InChIInChI=1S/C19H27ClFN3O2/c20-17-11-16(21)12-22-18(17)14-3-1-13(2-4-14)5-8-23-24-19(25)15-6-9-26-10-7-15/h11-15,23H,1-10H2,(H,24,25)
InChIKeyUYIJIXBQVZGZIT-UHFFFAOYSA-N
XLogP3.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide?
The IUPAC name of N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide (CID 161227664) is N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide?
The canonical SMILES for N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide is O=C(NNCCC1CCC(c2ncc(F)cc2Cl)CC1)C1CCOCC1.
What is the InChIKey of N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide?
The InChIKey is UYIJIXBQVZGZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O2/c20-17-11-16(21)12-22-18(17)14-3-1-13(2-4-14)5-8-23-24-19(25)15-6-9-26-10-7-15/h11-15,23H,1-10H2,(H,24,25).
What are the key properties of N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide?
N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide has a molecular weight of 383.90 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxane-4-carbohydrazide is sourced from PubChem (CID 161227664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).