(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

C19H20ClN3O3 — CID 95102702

IUPAC(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCCCN1C(=O)[C@@](C)(C(=O)Nc2cccc(Cl)c2)Oc2cccnc21
InChIInChI=1S/C19H20ClN3O3/c1-3-4-11-23-16-15(9-6-10-21-16)26-19(2,18(23)25)17(24)22-14-8-5-7-13(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyLZXASQUSZAYONG-LJQANCHMSA-N
MW373.84 g/mol
LogP3.66
Rot. Bonds5

About (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102702) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102702
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCCCN1C(=O)[C@@](C)(C(=O)Nc2cccc(Cl)c2)Oc2cccnc21
InChIInChI=1S/C19H20ClN3O3/c1-3-4-11-23-16-15(9-6-10-21-16)26-19(2,18(23)25)17(24)22-14-8-5-7-13(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyLZXASQUSZAYONG-LJQANCHMSA-N
XLogP3.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

(2R)-4-butyl-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102740
(2S)-4-butyl-N-cyclopentyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102731
(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102706
(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 95058499
(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102450
4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide
CID 71945902
1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
CID 26442979
N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
CID 60509196
(2S)-N-[(3-bromophenyl)methyl]-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102665
butyl 2-(3-chloroanilino)-2-oxoacetate
CID 6424255
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396

Frequently Asked Questions

What is the IUPAC name of (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102702) is (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCCCN1C(=O)[C@@](C)(C(=O)Nc2cccc(Cl)c2)Oc2cccnc21.
What is the InChIKey of (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is LZXASQUSZAYONG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-3-4-11-23-16-15(9-6-10-21-16)26-19(2,18(23)25)17(24)22-14-8-5-7-13(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).