4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide

C22H19N3O3 — CID 71945902

IUPAC4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)Nc2cccnc2)Oc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H19N3O3/c1-22(20(26)24-17-10-7-13-23-14-17)21(27)25(15-16-8-3-2-4-9-16)18-11-5-6-12-19(18)28-22/h2-14H,15H2,1H3,(H,24,26)
InChIKeyISKHUTJOVFZNGD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.40
Rot. Bonds4

About 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide

4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide (PubChem CID 71945902) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide
PubChem CID71945902
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)Nc2cccnc2)Oc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H19N3O3/c1-22(20(26)24-17-10-7-13-23-14-17)21(27)25(15-16-8-3-2-4-9-16)18-11-5-6-12-19(18)28-22/h2-14H,15H2,1H3,(H,24,26)
InChIKeyISKHUTJOVFZNGD-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.40
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

4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768290
N-(3,5-dimethyl-1,2-thiazol-4-yl)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768433
methyl 4-[(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 75769453
4-ethyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769832
4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173784
2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
CID 75767849
N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768303
(2R)-4-butyl-N-(3-chlorophenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102702
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769822
(2R)-4-ethyl-N-(4-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102532
N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173807

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide (CID 71945902) is 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide is CC1(C(=O)Nc2cccnc2)Oc2ccccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide?
The InChIKey is ISKHUTJOVFZNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-22(20(26)24-17-10-7-13-23-14-17)21(27)25(15-16-8-3-2-4-9-16)18-11-5-6-12-19(18)28-22/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide?
4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 71945902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).