N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide

C25H30ClN3O3 — CID 145383225

IUPACN-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide
SMILESCCC1C=C(c2c(C)cccc2C(=O)N(CC)C(C)COc2ccc(Cl)cn2)OC(C)=N1
InChIInChI=1S/C25H30ClN3O3/c1-6-20-13-22(32-18(5)28-20)24-16(3)9-8-10-21(24)25(30)29(7-2)17(4)15-31-23-12-11-19(26)14-27-23/h8-14,17,20H,6-7,15H2,1-5H3
InChIKeyPOYGXBHYUYTCIU-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.54
Rot. Bonds8

About N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide

N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide (PubChem CID 145383225) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide
PubChem CID145383225
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide
SMILESCCC1C=C(c2c(C)cccc2C(=O)N(CC)C(C)COc2ccc(Cl)cn2)OC(C)=N1
InChIInChI=1S/C25H30ClN3O3/c1-6-20-13-22(32-18(5)28-20)24-16(3)9-8-10-21(24)25(30)29(7-2)17(4)15-31-23-12-11-19(26)14-27-23/h8-14,17,20H,6-7,15H2,1-5H3
InChIKeyPOYGXBHYUYTCIU-UHFFFAOYSA-N
XLogP5.54
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide with MolForge

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Related Compounds

US9546152, example 16
CID 74222326
Nlx204; nlx204
CID 132256735
4-[(5-Chloro-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
CID 71731948
US9546152, example 17
CID 74222327
4-(2-chloro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 87481281
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-methyl-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256799
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105
Anabasine, derivative of
CID 2902985
(2-Chloro-pyridine-4-carbonyl)-(4-ethoxy-phenyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
CID 44378168
2-(3-chlorobenzyloxy)-N,6-dimethyl-N-(pyridin-3-ylmethyl)isonicotinamide
CID 44409949
8-Chloro-6-(6-phenoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53320175

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide?
The IUPAC name of N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide (CID 145383225) is N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide.
What is the SMILES notation for N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide?
The canonical SMILES for N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide is CCC1C=C(c2c(C)cccc2C(=O)N(CC)C(C)COc2ccc(Cl)cn2)OC(C)=N1.
What is the InChIKey of N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide?
The InChIKey is POYGXBHYUYTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-6-20-13-22(32-18(5)28-20)24-16(3)9-8-10-21(24)25(30)29(7-2)17(4)15-31-23-12-11-19(26)14-27-23/h8-14,17,20H,6-7,15H2,1-5H3.
What are the key properties of N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide?
N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide has a molecular weight of 455.99 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-3-methylbenzamide is sourced from PubChem (CID 145383225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).