N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

C18H19N3O5 — CID 53173722

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C)Oc3cccnc3NC2=O)c(OC)c1
InChIInChI=1S/C18H19N3O5/c1-18(17(23)21-15-13(26-18)5-4-8-19-15)16(22)20-10-11-6-7-12(24-2)9-14(11)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyDBGMGXQGEGWOHD-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.50
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53173722) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53173722
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C)Oc3cccnc3NC2=O)c(OC)c1
InChIInChI=1S/C18H19N3O5/c1-18(17(23)21-15-13(26-18)5-4-8-19-15)16(22)20-10-11-6-7-12(24-2)9-14(11)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyDBGMGXQGEGWOHD-UHFFFAOYSA-N
XLogP1.50
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 1473069
(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102376
(2S)-4-ethyl-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102517
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
3-[(2,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 129244426
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111880227
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53173722) is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is COc1ccc(CNC(=O)C2(C)Oc3cccnc3NC2=O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is DBGMGXQGEGWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-18(17(23)21-15-13(26-18)5-4-8-19-15)16(22)20-10-11-6-7-12(24-2)9-14(11)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53173722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).