2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide

C17H17N3O3 — CID 56730054

IUPAC2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccccn2)Oc2ccccc2NC1=O
InChIInChI=1S/C17H17N3O3/c1-17(15(21)19-11-9-12-6-4-5-10-18-12)16(22)20-13-7-2-3-8-14(13)23-17/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCVSPNCVMQLRBTR-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide

2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 56730054) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
PubChem CID56730054
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccccn2)Oc2ccccc2NC1=O
InChIInChI=1S/C17H17N3O3/c1-17(15(21)19-11-9-12-6-4-5-10-18-12)16(22)20-13-7-2-3-8-14(13)23-17/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCVSPNCVMQLRBTR-UHFFFAOYSA-N
XLogP1.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56730231
N-(3-hydroxypropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75770062
(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbohydrazide
CID 7091030
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
N-(2-butan-2-ylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795956
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
(2S)-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 1473069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide (CID 56730054) is 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide is CC1(C(=O)NCCc2ccccn2)Oc2ccccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is CVSPNCVMQLRBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(15(21)19-11-9-12-6-4-5-10-18-12)16(22)20-13-7-2-3-8-14(13)23-17/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide?
2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 56730054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).