3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide

C28H33N5O4 — CID 166717036

IUPAC3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide
SMILESCC1Oc2cc(C(=O)N(C)C)ccc2-c2cnc(Nc3cnc4c(c3)N(C(O)C(C)(C)C)CCO4)cc21
InChIInChI=1S/C28H33N5O4/c1-16-20-13-24(29-15-21(20)19-8-7-17(11-23(19)37-16)26(34)32(5)6)31-18-12-22-25(30-14-18)36-10-9-33(22)27(35)28(2,3)4/h7-8,11-16,27,35H,9-10H2,1-6H3,(H,29,31)
InChIKeyZDTHABDSUWAALT-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.61
Rot. Bonds4

About 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide

3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide (PubChem CID 166717036) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide
PubChem CID166717036
Molecular FormulaC28H33N5O4
Molecular Weight503.60 g/mol
Exact Mass503.25
IUPAC Name3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide
SMILESCC1Oc2cc(C(=O)N(C)C)ccc2-c2cnc(Nc3cnc4c(c3)N(C(O)C(C)(C)C)CCO4)cc21
InChIInChI=1S/C28H33N5O4/c1-16-20-13-24(29-15-21(20)19-8-7-17(11-23(19)37-16)26(34)32(5)6)31-18-12-22-25(30-14-18)36-10-9-33(22)27(35)28(2,3)4/h7-8,11-16,27,35H,9-10H2,1-6H3,(H,29,31)
InChIKeyZDTHABDSUWAALT-UHFFFAOYSA-N
XLogP4.61
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N,N-dimethyl-3-(pyridin-3-ylamino)-5H-chromeno[4,3-c]pyridine-8-carboxamide
CID 142611972
[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate
CID 175073934
[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate
CID 142612539
[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-oxopyrido[2,3-b][1,4]oxazin-1-yl] thiohypofluorite
CID 142612609
N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide
CID 142612328
N,N-dimethyl-4-[2-[(3-oxospiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene-4,1'-cyclopropane]-12-yl)amino]pyrimidin-5-yl]benzamide
CID 162470017
N,N-dimethyl-4-[2-[[(6S)-3-oxospiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene-4,1'-cyclopropane]-12-yl]amino]pyrimidin-5-yl]benzamide
CID 142612568
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72948845
6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 133308195
1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 142612441
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide?
The IUPAC name of 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide (CID 166717036) is 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide.
What is the SMILES notation for 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide?
The canonical SMILES for 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide is CC1Oc2cc(C(=O)N(C)C)ccc2-c2cnc(Nc3cnc4c(c3)N(C(O)C(C)(C)C)CCO4)cc21.
What is the InChIKey of 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide?
The InChIKey is ZDTHABDSUWAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4/c1-16-20-13-24(29-15-21(20)19-8-7-17(11-23(19)37-16)26(34)32(5)6)31-18-12-22-25(30-14-18)36-10-9-33(22)27(35)28(2,3)4/h7-8,11-16,27,35H,9-10H2,1-6H3,(H,29,31).
What are the key properties of 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide?
3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-N,N,5-trimethyl-5H-chromeno[4,3-c]pyridine-8-carboxamide is sourced from PubChem (CID 166717036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).