N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide

C16H13N5O2 — CID 108747297

IUPACN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H13N5O2/c1-23-10-15(22)20-16-12(8-17)9-18-21(16)14-7-6-11-4-2-3-5-13(11)19-14/h2-7,9H,10H2,1H3,(H,20,22)
InChIKeyCKKBPHIIDTTWPO-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.88
Rot. Bonds4

About N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide

N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide (PubChem CID 108747297) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
PubChem CID108747297
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H13N5O2/c1-23-10-15(22)20-16-12(8-17)9-18-21(16)14-7-6-11-4-2-3-5-13(11)19-14/h2-7,9H,10H2,1H3,(H,20,22)
InChIKeyCKKBPHIIDTTWPO-UHFFFAOYSA-N
XLogP1.88
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide?
The IUPAC name of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide (CID 108747297) is N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide?
The canonical SMILES for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide is COCC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide?
The InChIKey is CKKBPHIIDTTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-23-10-15(22)20-16-12(8-17)9-18-21(16)14-7-6-11-4-2-3-5-13(11)19-14/h2-7,9H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide?
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide has a molecular weight of 307.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide is sourced from PubChem (CID 108747297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).