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

C18H25N3O3 — CID 97416476

IUPAC(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)[C@](C)(C(=O)NC2CCCCCC2)Oc2cccnc21
InChIInChI=1S/C18H25N3O3/c1-3-21-15-14(11-8-12-19-15)24-18(2,17(21)23)16(22)20-13-9-6-4-5-7-10-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyCKFUBWQOMZRNGQ-SFHVURJKSA-N
MW331.42 g/mol
LogP2.42
Rot. Bonds3

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

(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 97416476) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID97416476
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)[C@](C)(C(=O)NC2CCCCCC2)Oc2cccnc21
InChIInChI=1S/C18H25N3O3/c1-3-21-15-14(11-8-12-19-15)24-18(2,17(21)23)16(22)20-13-9-6-4-5-7-10-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyCKFUBWQOMZRNGQ-SFHVURJKSA-N
XLogP2.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

(2R)-4-butyl-N-cycloheptyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102706
(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
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
4-ethyl-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173817
(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102702
(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 95058499

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 97416476) is (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCN1C(=O)[C@](C)(C(=O)NC2CCCCCC2)Oc2cccnc21.
What is the InChIKey of (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is CKFUBWQOMZRNGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-21-15-14(11-8-12-19-15)24-18(2,17(21)23)16(22)20-13-9-6-4-5-7-10-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 97416476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).