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

C16H14FN3O3 — CID 95102464

IUPAC(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCN1C(=O)[C@@](C)(C(=O)Nc2ccccc2F)Oc2cccnc21
InChIInChI=1S/C16H14FN3O3/c1-16(14(21)19-11-7-4-3-6-10(11)17)15(22)20(2)13-12(23-16)8-5-9-18-13/h3-9H,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyAKNQFTGTDVWONE-MRXNPFEDSA-N
MW315.30 g/mol
LogP1.97
Rot. Bonds2

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

(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102464) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102464
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCN1C(=O)[C@@](C)(C(=O)Nc2ccccc2F)Oc2cccnc21
InChIInChI=1S/C16H14FN3O3/c1-16(14(21)19-11-7-4-3-6-10(11)17)15(22)20(2)13-12(23-16)8-5-9-18-13/h3-9H,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyAKNQFTGTDVWONE-MRXNPFEDSA-N
XLogP1.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.97
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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Related Compounds

(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102450
(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95058483
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173815
(2R)-4-butyl-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102740
(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102533
4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173802
(2S)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102620
(2R)-4-ethyl-N-(4-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102532
2,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769904
(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102702
(2R)-N-[(4-bromophenyl)methyl]-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102654
N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769516

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102464) is (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CN1C(=O)[C@@](C)(C(=O)Nc2ccccc2F)Oc2cccnc21.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is AKNQFTGTDVWONE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-16(14(21)19-11-7-4-3-6-10(11)17)15(22)20(2)13-12(23-16)8-5-9-18-13/h3-9H,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).