N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

C18H16N4O3 — CID 53173807

IUPACN-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cccc(C#N)c2)Oc2cccnc21
InChIInChI=1S/C18H16N4O3/c1-3-22-15-14(8-5-9-20-15)25-18(2,17(22)24)16(23)21-13-7-4-6-12(10-13)11-19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyBVZHCYUUODDXFU-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.10
Rot. Bonds3

About N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53173807) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53173807
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cccc(C#N)c2)Oc2cccnc21
InChIInChI=1S/C18H16N4O3/c1-3-22-15-14(8-5-9-20-15)25-18(2,17(22)24)16(23)21-13-7-4-6-12(10-13)11-19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyBVZHCYUUODDXFU-UHFFFAOYSA-N
XLogP2.10
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102464
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53173807) is N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2cccc(C#N)c2)Oc2cccnc21.
What is the InChIKey of N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is BVZHCYUUODDXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-3-22-15-14(8-5-9-20-15)25-18(2,17(22)24)16(23)21-13-7-4-6-12(10-13)11-19/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).