N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

C17H16N4O3 — CID 4316546

IUPACN-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)c(OC)c1
InChIInChI=1S/C17H16N4O3/c1-23-13-5-6-14(15(10-13)24-2)20-17(22)12-4-7-16(18-11-12)21-9-3-8-19-21/h3-11H,1-2H3,(H,20,22)
InChIKeyTWAAWUKFJAWLNP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.54
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 4316546) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID4316546
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)c(OC)c1
InChIInChI=1S/C17H16N4O3/c1-23-13-5-6-14(15(10-13)24-2)20-17(22)12-4-7-16(18-11-12)21-9-3-8-19-21/h3-11H,1-2H3,(H,20,22)
InChIKeyTWAAWUKFJAWLNP-UHFFFAOYSA-N
XLogP2.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (CID 4316546) is N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is TWAAWUKFJAWLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-13-5-6-14(15(10-13)24-2)20-17(22)12-4-7-16(18-11-12)21-9-3-8-19-21/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 4316546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).