3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide

C32H42N8O4 — CID 68666016

IUPAC3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide
SMILESCOCCN1C(=O)C(C)(C)Oc2cc(Nc3ncc(-c4cccc(C(N)=O)c4)c(NC4CC(C)(C)NC(C)(C)C4)n3)cnc21
InChIInChI=1S/C32H42N8O4/c1-30(2)15-22(16-31(3,4)39-30)36-26-23(19-9-8-10-20(13-19)25(33)41)18-35-29(38-26)37-21-14-24-27(34-17-21)40(11-12-43-7)28(42)32(5,6)44-24/h8-10,13-14,17-18,22,39H,11-12,15-16H2,1-7H3,(H2,33,41)(H2,35,36,37,38)
InChIKeyKDQBIUFGAFUSKP-UHFFFAOYSA-N
MW602.74 g/mol
LogP4.25
Rot. Bonds9

About 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide

3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide (PubChem CID 68666016) has the molecular formula C32H42N8O4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide
PubChem CID68666016
Molecular FormulaC32H42N8O4
Molecular Weight602.74 g/mol
Exact Mass602.33
IUPAC Name3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide
SMILESCOCCN1C(=O)C(C)(C)Oc2cc(Nc3ncc(-c4cccc(C(N)=O)c4)c(NC4CC(C)(C)NC(C)(C)C4)n3)cnc21
InChIInChI=1S/C32H42N8O4/c1-30(2)15-22(16-31(3,4)39-30)36-26-23(19-9-8-10-20(13-19)25(33)41)18-35-29(38-26)37-21-14-24-27(34-17-21)40(11-12-43-7)28(42)32(5,6)44-24/h8-10,13-14,17-18,22,39H,11-12,15-16H2,1-7H3,(H2,33,41)(H2,35,36,37,38)
InChIKeyKDQBIUFGAFUSKP-UHFFFAOYSA-N
XLogP4.25
TPSA156.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.74
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-(2-fluoroethyl)-7-[[5-fluoro-4-phenyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 87535208
7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 68665858
7-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidin-2-yl]amino]-2,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 25175963
7-[2-[[5-fluoro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
CID 68665558
2-[[4-(2-methoxyethyl)-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
CID 25176115
3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 68665074
7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 46865859
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
2-[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 68665841
1-[3-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547435
5-fluoro-2-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68666188
2-N-[3,5-bis(2-methoxyethoxy)phenyl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664714

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide?
The IUPAC name of 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide (CID 68666016) is 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide is COCCN1C(=O)C(C)(C)Oc2cc(Nc3ncc(-c4cccc(C(N)=O)c4)c(NC4CC(C)(C)NC(C)(C)C4)n3)cnc21.
What is the InChIKey of 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide?
The InChIKey is KDQBIUFGAFUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O4/c1-30(2)15-22(16-31(3,4)39-30)36-26-23(19-9-8-10-20(13-19)25(33)41)18-35-29(38-26)37-21-14-24-27(34-17-21)40(11-12-43-7)28(42)32(5,6)44-24/h8-10,13-14,17-18,22,39H,11-12,15-16H2,1-7H3,(H2,33,41)(H2,35,36,37,38).
What are the key properties of 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide?
3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide has a molecular weight of 602.74 g/mol, XLogP of 4.25, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 68666016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).