2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide

C19H16N4O3 — CID 20867867

IUPAC2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)Nc4ncccc4C)c3c2c1
InChIInChI=1S/C19H16N4O3/c1-11-5-6-15-13(8-11)17-14(19(25)26-15)9-21-23(17)10-16(24)22-18-12(2)4-3-7-20-18/h3-9H,10H2,1-2H3,(H,20,22,24)
InChIKeyUKFDSRJOTGRZBJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.79
Rot. Bonds3

About 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide

2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 20867867) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID20867867
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)Nc4ncccc4C)c3c2c1
InChIInChI=1S/C19H16N4O3/c1-11-5-6-15-13(8-11)17-14(19(25)26-15)9-21-23(17)10-16(24)22-18-12(2)4-3-7-20-18/h3-9H,10H2,1-2H3,(H,20,22,24)
InChIKeyUKFDSRJOTGRZBJ-UHFFFAOYSA-N
XLogP2.79
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867736
N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867735
N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855542
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 20867873
N-(5-chloro-2,4-dimethoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867752
N-[2-[benzyl(methyl)amino]ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867860
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867825
N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867891
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20873124
N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867798
N-(3-chlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6622016
N-(3,4-dimethoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855479

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (CID 20867867) is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ncccc4C)c3c2c1.
What is the InChIKey of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is UKFDSRJOTGRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11-5-6-15-13(8-11)17-14(19(25)26-15)9-21-23(17)10-16(24)22-18-12(2)4-3-7-20-18/h3-9H,10H2,1-2H3,(H,20,22,24).
What are the key properties of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 20867867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).