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

C18H14N4O3 — CID 20855542

IUPACN-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccnc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1
InChIInChI=1S/C18H14N4O3/c1-11-6-7-19-15(8-11)21-16(23)10-22-17-12-4-2-3-5-14(12)25-18(24)13(17)9-20-22/h2-9H,10H2,1H3,(H,19,21,23)
InChIKeyWWQWTNRFTVSGPD-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.48
Rot. Bonds3

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

N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20855542) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20855542
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccnc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1
InChIInChI=1S/C18H14N4O3/c1-11-6-7-19-15(8-11)21-16(23)10-22-17-12-4-2-3-5-14(12)25-18(24)13(17)9-20-22/h2-9H,10H2,1H3,(H,19,21,23)
InChIKeyWWQWTNRFTVSGPD-UHFFFAOYSA-N
XLogP2.48
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.48
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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20873124
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 20867867
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
ethane;2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propylacetamide
CID 91515379
ethane;1-(2-oxopropyl)chromeno[3,4-d]pyrazol-4-one
CID 91292022
N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867735
N-(4-fluorophenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867736
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307131
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20855538
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 20867873
N-[2-[benzyl(methyl)amino]ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867860

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20855542) is N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is Cc1ccnc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is WWQWTNRFTVSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-11-6-7-19-15(8-11)21-16(23)10-22-17-12-4-2-3-5-14(12)25-18(24)13(17)9-20-22/h2-9H,10H2,1H3,(H,19,21,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20855542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).