(2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide

C21H22F2N2O5 — CID 134218271

IUPAC(2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide
SMILESC[C@@H]1Cn2cc(C(=O)NCc3c(F)cccc3F)c(=O)c(O)c2C(=O)CCCCO1
InChIInChI=1S/C21H22F2N2O5/c1-12-10-25-11-14(21(29)24-9-13-15(22)5-4-6-16(13)23)19(27)20(28)18(25)17(26)7-2-3-8-30-12/h4-6,11-12,28H,2-3,7-10H2,1H3,(H,24,29)/t12-/m1/s1
InChIKeyXJBULLRPDGJGRO-GFCCVEGCSA-N
MW420.41 g/mol
LogP2.53
Rot. Bonds3

About (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide

(2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide (PubChem CID 134218271) has the molecular formula C21H22F2N2O5 and a molecular weight of 420.41 g/mol. Its IUPAC name is (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide
PubChem CID134218271
Molecular FormulaC21H22F2N2O5
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Name(2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide
SMILESC[C@@H]1Cn2cc(C(=O)NCc3c(F)cccc3F)c(=O)c(O)c2C(=O)CCCCO1
InChIInChI=1S/C21H22F2N2O5/c1-12-10-25-11-14(21(29)24-9-13-15(22)5-4-6-16(13)23)19(27)20(28)18(25)17(26)7-2-3-8-30-12/h4-6,11-12,28H,2-3,7-10H2,1H3,(H,24,29)/t12-/m1/s1
InChIKeyXJBULLRPDGJGRO-GFCCVEGCSA-N
XLogP2.53
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide with MolForge

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Related Compounds

(12aS)-7-hydroxy-5a-methyl-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5,12,12a-hexahydrooxepino[3,2-b]quinolizine-9-carboxamide
CID 144818426
(3S)-N-[(3,5-difluoro-4-pyridinyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 167013504
(4aR,11aS)-N-[(3-chloro-2-fluorophenyl)methyl]-6-hydroxy-4a-methyl-5,7-dioxo-3,4,11,11a-tetrahydro-2H-pyrano[3,2-b]quinolizine-8-carboxamide;(4aR,11aR)-N-[(3-chloro-2-fluorophenyl)methyl]-6-hydroxy-4a-methyl-5,7-dioxo-3,4,11,11a-tetrahydro-2H-pyrano[3,2-b]quinolizine-8-carboxamide;(4aS,11aS)-N-[(3-chloro-2-fluorophenyl)methyl]-6-hydroxy-4a-methyl-5,7-dioxo-3,4,11,11a-tetrahydro-2H-pyrano[3,2-b]quinolizine-8-carboxamide;(4aS,11aR)-N-[(3-chloro-2-fluorophenyl)methyl]-6-hydroxy-4a-methyl-5,7-dioxo-3,4,11,11a-tetrahydro-2H-pyrano[3,2-b]quinolizine-8-carboxamide
CID 158598776
(3S,6R)-N-[(4-fluorophenyl)methyl]-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 102584023
(5aS,12aS)-N-[(3-chloro-2-fluorophenyl)methyl]-7-hydroxy-5a-methyl-6,8-dioxo-2,3,4,5,12,12a-hexahydrooxepino[3,2-b]quinolizine-9-carboxamide;(5aS,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-5a-methyl-6,8-dioxo-2,3,4,5,12,12a-hexahydrooxepino[3,2-b]quinolizine-9-carboxamide
CID 159553800
(1S,11R,12R,13S)-5-hydroxy-13-methyl-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatetracyclo[10.1.1.02,11.04,9]tetradeca-4,7-diene-7-carboxamide
CID 129167101
(3R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 176520150
N-[(4-chloro-2-fluorophenyl)methyl]-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 146357717
(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide sodium salt
CID 67179015
(13S)-14-ethyl-4-hydroxy-11,12,13-trimethyl-2,5-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 130392325
(6S)-7-ethyl-10-hydroxy-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 138599671
N-[(4-fluorophenyl)methyl]-11-hydroxy-2-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 54713654

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide?
The IUPAC name of (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide (CID 134218271) is (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide.
What is the SMILES notation for (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide?
The canonical SMILES for (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide is C[C@@H]1Cn2cc(C(=O)NCc3c(F)cccc3F)c(=O)c(O)c2C(=O)CCCCO1.
What is the InChIKey of (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide?
The InChIKey is XJBULLRPDGJGRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H22F2N2O5/c1-12-10-25-11-14(21(29)24-9-13-15(22)5-4-6-16(13)23)19(27)20(28)18(25)17(26)7-2-3-8-30-12/h4-6,11-12,28H,2-3,7-10H2,1H3,(H,24,29)/t12-/m1/s1.
What are the key properties of (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide?
(2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide has a molecular weight of 420.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,6-difluorophenyl)methyl]-9-hydroxy-2-methyl-8,10-dioxo-1,2,4,5,6,7-hexahydropyrido[1,2-d][1,4]oxazecine-11-carboxamide is sourced from PubChem (CID 134218271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).