N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide

C19H24N4O3 — CID 75796143

IUPACN,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)NC(=O)C(C)(C(=O)N(C)Cc1c(C)nn(C)c1C)O2
InChIInChI=1S/C19H24N4O3/c1-11-7-8-16-15(9-11)20-17(24)19(4,26-16)18(25)22(5)10-14-12(2)21-23(6)13(14)3/h7-9H,10H2,1-6H3,(H,20,24)
InChIKeyGOXAXLNVDRGBIW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.09
Rot. Bonds3

About N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide

N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 75796143) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide
PubChem CID75796143
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)NC(=O)C(C)(C(=O)N(C)Cc1c(C)nn(C)c1C)O2
InChIInChI=1S/C19H24N4O3/c1-11-7-8-16-15(9-11)20-17(24)19(4,26-16)18(25)22(5)10-14-12(2)21-23(6)13(14)3/h7-9H,10H2,1-6H3,(H,20,24)
InChIKeyGOXAXLNVDRGBIW-UHFFFAOYSA-N
XLogP2.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide (CID 75796143) is N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)NC(=O)C(C)(C(=O)N(C)Cc1c(C)nn(C)c1C)O2.
What is the InChIKey of N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is GOXAXLNVDRGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-7-8-16-15(9-11)20-17(24)19(4,26-16)18(25)22(5)10-14-12(2)21-23(6)13(14)3/h7-9H,10H2,1-6H3,(H,20,24).
What are the key properties of N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide?
N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75796143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).