[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone

C18H16Cl2N2O — CID 162379853

IUPAC[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)C1CC2(C1)CN(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C18H16Cl2N2O/c19-15-4-3-14(6-16(15)20)22-10-18(11-22)7-13(8-18)17(23)12-2-1-5-21-9-12/h1-6,9,13H,7-8,10-11H2
InChIKeyHFQWYUAPQVJALJ-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.49
Rot. Bonds3

About [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone

[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone (PubChem CID 162379853) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone
PubChem CID162379853
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)C1CC2(C1)CN(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C18H16Cl2N2O/c19-15-4-3-14(6-16(15)20)22-10-18(11-22)7-13(8-18)17(23)12-2-1-5-21-9-12/h1-6,9,13H,7-8,10-11H2
InChIKeyHFQWYUAPQVJALJ-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 172702037
[2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol
CID 168920571
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone (CID 162379853) is [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)C1CC2(C1)CN(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone?
The InChIKey is HFQWYUAPQVJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-15-4-3-14(6-16(15)20)22-10-18(11-22)7-13(8-18)17(23)12-2-1-5-21-9-12/h1-6,9,13H,7-8,10-11H2.
What are the key properties of [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone?
[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone has a molecular weight of 347.25 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 162379853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).