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

C18H14N4O3 — CID 5156842

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCc1cccnc1
InChIInChI=1S/C18H14N4O3/c23-16(20-9-12-4-3-7-19-8-12)11-22-17-13-5-1-2-6-15(13)25-18(24)14(17)10-21-22/h1-8,10H,9,11H2,(H,20,23)
InChIKeyAFCMLKINNMYQRW-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.85
Rot. Bonds4

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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 5156842) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID5156842
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCc1cccnc1
InChIInChI=1S/C18H14N4O3/c23-16(20-9-12-4-3-7-19-8-12)11-22-17-13-5-1-2-6-15(13)25-18(24)14(17)10-21-22/h1-8,10H,9,11H2,(H,20,23)
InChIKeyAFCMLKINNMYQRW-UHFFFAOYSA-N
XLogP1.85
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 5156842) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCc1cccnc1.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is AFCMLKINNMYQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-16(20-9-12-4-3-7-19-8-12)11-22-17-13-5-1-2-6-15(13)25-18(24)14(17)10-21-22/h1-8,10H,9,11H2,(H,20,23).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 5156842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).