2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide

C16H15N3O3 — CID 110701855

IUPAC2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCc2ccncc2)NC1=O
InChIInChI=1S/C16H15N3O3/c1-10-15(20)19-13-4-2-3-12(14(13)22-10)16(21)18-9-11-5-7-17-8-6-11/h2-8,10H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyLEUKGKFHWURREK-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide

2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701855) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701855
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCc2ccncc2)NC1=O
InChIInChI=1S/C16H15N3O3/c1-10-15(20)19-13-4-2-3-12(14(13)22-10)16(21)18-9-11-5-7-17-8-6-11/h2-8,10H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyLEUKGKFHWURREK-UHFFFAOYSA-N
XLogP1.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide (CID 110701855) is 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)NCc2ccncc2)NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is LEUKGKFHWURREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-15(20)19-13-4-2-3-12(14(13)22-10)16(21)18-9-11-5-7-17-8-6-11/h2-8,10H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide?
2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.73, 3 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-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).