azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone

C19H20Cl2N2O2 — CID 58210813

IUPACazepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
SMILESO=C(c1cncc(COc2c(Cl)cccc2Cl)c1)N1CCCCCC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-6-5-7-17(21)18(16)25-13-14-10-15(12-22-11-14)19(24)23-8-3-1-2-4-9-23/h5-7,10-12H,1-4,8-9,13H2
InChIKeyPGARMBPTGACTLH-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.98
Rot. Bonds4

About azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone

azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone (PubChem CID 58210813) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
PubChem CID58210813
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Nameazepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
SMILESO=C(c1cncc(COc2c(Cl)cccc2Cl)c1)N1CCCCCC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-6-5-7-17(21)18(16)25-13-14-10-15(12-22-11-14)19(24)23-8-3-1-2-4-9-23/h5-7,10-12H,1-4,8-9,13H2
InChIKeyPGARMBPTGACTLH-UHFFFAOYSA-N
XLogP4.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 58210629
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
CID 58210767
N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
CID 58211585
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016
azepan-1-yl-[6-[(2,4,6-trichlorophenoxy)methyl]-2-pyridinyl]methanone
CID 58211391
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
[5-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210731
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone (CID 58210813) is azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone is O=C(c1cncc(COc2c(Cl)cccc2Cl)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone?
The InChIKey is PGARMBPTGACTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-6-5-7-17(21)18(16)25-13-14-10-15(12-22-11-14)19(24)23-8-3-1-2-4-9-23/h5-7,10-12H,1-4,8-9,13H2.
What are the key properties of azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone?
azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone has a molecular weight of 379.29 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone is sourced from PubChem (CID 58210813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).