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

C20H29N3O3 — CID 95102706

IUPAC(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCCCN1C(=O)[C@@](C)(C(=O)NC2CCCCCC2)Oc2cccnc21
InChIInChI=1S/C20H29N3O3/c1-3-4-14-23-17-16(12-9-13-21-17)26-20(2,19(23)25)18(24)22-15-10-7-5-6-8-11-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyWPUXLOMMJAWKDE-HXUWFJFHSA-N
MW359.47 g/mol
LogP3.20
Rot. Bonds5

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

(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102706) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102706
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCCCN1C(=O)[C@@](C)(C(=O)NC2CCCCCC2)Oc2cccnc21
InChIInChI=1S/C20H29N3O3/c1-3-4-14-23-17-16(12-9-13-21-17)26-20(2,19(23)25)18(24)22-15-10-7-5-6-8-11-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyWPUXLOMMJAWKDE-HXUWFJFHSA-N
XLogP3.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.20
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-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-butyl-N-cyclopentyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102731
(2R)-4-butyl-N-cyclopentyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102732
(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416476
(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 95058499
(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102702
(2R)-4-butyl-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102740
4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173802
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173815
(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102533
(2R)-4-ethyl-N-(4-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102532
(2S)-4-ethyl-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102517
4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173784

Frequently Asked Questions

What is the IUPAC name of (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102706) is (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCCCN1C(=O)[C@@](C)(C(=O)NC2CCCCCC2)Oc2cccnc21.
What is the InChIKey of (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is WPUXLOMMJAWKDE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-4-14-23-17-16(12-9-13-21-17)26-20(2,19(23)25)18(24)22-15-10-7-5-6-8-11-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.20, 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-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).