2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide

C21H26N4O3 — CID 110831707

IUPAC2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N2C(=O)C(C(C)C)Oc3ccc(N)nc32)c1C
InChIInChI=1S/C21H26N4O3/c1-11(2)18-21(27)25(19-16(28-18)9-10-17(22)24-19)14(5)20(26)23-15-8-6-7-12(3)13(15)4/h6-11,14,18H,1-5H3,(H2,22,24)(H,23,26)
InChIKeyVDSLHZJGCHFQER-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.06
Rot. Bonds4

About 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide

2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 110831707) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID110831707
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N2C(=O)C(C(C)C)Oc3ccc(N)nc32)c1C
InChIInChI=1S/C21H26N4O3/c1-11(2)18-21(27)25(19-16(28-18)9-10-17(22)24-19)14(5)20(26)23-15-8-6-7-12(3)13(15)4/h6-11,14,18H,1-5H3,(H2,22,24)(H,23,26)
InChIKeyVDSLHZJGCHFQER-UHFFFAOYSA-N
XLogP3.06
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide
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(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide
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N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
CID 4559680
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
N-(2,3-dimethylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 55333968
S-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] carbamothioate
CID 23765487
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CID 43130569
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298
methyl 2-[[(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl]amino]-6-methylbenzoate
CID 98328262

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide (CID 110831707) is 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)C(C)N2C(=O)C(C(C)C)Oc3ccc(N)nc32)c1C.
What is the InChIKey of 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is VDSLHZJGCHFQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-11(2)18-21(27)25(19-16(28-18)9-10-17(22)24-19)14(5)20(26)23-15-8-6-7-12(3)13(15)4/h6-11,14,18H,1-5H3,(H2,22,24)(H,23,26).
What are the key properties of 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide?
2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 110831707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).