2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

C19H17N5O3 — CID 43063137

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2cccnc2-n2cccn2)C1=O
InChIInChI=1S/C19H17N5O3/c1-13-19(26)23(15-7-2-3-8-16(15)27-13)12-17(25)22-14-6-4-9-20-18(14)24-11-5-10-21-24/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyAQLGACSLEQYAQF-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (PubChem CID 43063137) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
PubChem CID43063137
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2cccnc2-n2cccn2)C1=O
InChIInChI=1S/C19H17N5O3/c1-13-19(26)23(15-7-2-3-8-16(15)27-13)12-17(25)22-14-6-4-9-20-18(14)24-11-5-10-21-24/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyAQLGACSLEQYAQF-UHFFFAOYSA-N
XLogP2.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-propoxyphenyl)acetamide
CID 17410983
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30885056
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 71931589
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-(2,4-dichlorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410074
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586510
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (CID 43063137) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is CC1Oc2ccccc2N(CC(=O)Nc2cccnc2-n2cccn2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The InChIKey is AQLGACSLEQYAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13-19(26)23(15-7-2-3-8-16(15)27-13)12-17(25)22-14-6-4-9-20-18(14)24-11-5-10-21-24/h2-11,13H,12H2,1H3,(H,22,25).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide has a molecular weight of 363.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 43063137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).