2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

C23H28FN3O3 — CID 153324619

IUPAC2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCN1CCOc2c(Cc3ccc(F)cc3)cc(CC(=O)N[C@H]3CCCC[C@@H]3O)nc21
InChIInChI=1S/C23H28FN3O3/c1-27-10-11-30-22-16(12-15-6-8-17(24)9-7-15)13-18(25-23(22)27)14-21(29)26-19-4-2-3-5-20(19)28/h6-9,13,19-20,28H,2-5,10-12,14H2,1H3,(H,26,29)/t19-,20-/m0/s1
InChIKeyWALHRKRUHYGENT-PMACEKPBSA-N
MW413.49 g/mol
LogP2.60
Rot. Bonds5

About 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 153324619) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID153324619
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCN1CCOc2c(Cc3ccc(F)cc3)cc(CC(=O)N[C@H]3CCCC[C@@H]3O)nc21
InChIInChI=1S/C23H28FN3O3/c1-27-10-11-30-22-16(12-15-6-8-17(24)9-7-15)13-18(25-23(22)27)14-21(29)26-19-4-2-3-5-20(19)28/h6-9,13,19-20,28H,2-5,10-12,14H2,1H3,(H,26,29)/t19-,20-/m0/s1
InChIKeyWALHRKRUHYGENT-PMACEKPBSA-N
XLogP2.60
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 134312524
8-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 142751744
methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate
CID 134306960
2-[4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]-N-[(3S,4S)-4-hydroxyoxan-3-yl]acetamide
CID 153324629
7-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrrolo[3,2-b]pyridine-5-carboxamide
CID 134312578
N-[(1S,2S)-2-hydroxycyclohexyl]-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312590
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
4-[[4-(4-fluorophenyl)phenyl]methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 162475028
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
CID 110125855
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 153324619) is 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is CN1CCOc2c(Cc3ccc(F)cc3)cc(CC(=O)N[C@H]3CCCC[C@@H]3O)nc21.
What is the InChIKey of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is WALHRKRUHYGENT-PMACEKPBSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-27-10-11-30-22-16(12-15-6-8-17(24)9-7-15)13-18(25-23(22)27)14-21(29)26-19-4-2-3-5-20(19)28/h6-9,13,19-20,28H,2-5,10-12,14H2,1H3,(H,26,29)/t19-,20-/m0/s1.
What are the key properties of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 413.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 153324619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).