(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

C17H17N3O3 — CID 95102450

IUPAC(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@]1(C)Oc2cccnc2N(C)C1=O
InChIInChI=1S/C17H17N3O3/c1-11-7-4-5-8-12(11)19-15(21)17(2)16(22)20(3)14-13(23-17)9-6-10-18-14/h4-10H,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyVSGXVNCKFWNSAN-KRWDZBQOSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds2

About (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102450) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102450
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@]1(C)Oc2cccnc2N(C)C1=O
InChIInChI=1S/C17H17N3O3/c1-11-7-4-5-8-12(11)19-15(21)17(2)16(22)20(3)14-13(23-17)9-6-10-18-14/h4-10H,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyVSGXVNCKFWNSAN-KRWDZBQOSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102450) is (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is Cc1ccccc1NC(=O)[C@]1(C)Oc2cccnc2N(C)C1=O.
What is the InChIKey of (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is VSGXVNCKFWNSAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-7-4-5-8-12(11)19-15(21)17(2)16(22)20(3)14-13(23-17)9-6-10-18-14/h4-10H,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).