6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide

C20H22N4O2 — CID 53156822

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C20H22N4O2/c1-4-26-18-8-6-5-7-16(18)12-22-20(25)17-9-10-19(21-13-17)24-15(3)11-14(2)23-24/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyHXAGMJYIRQSTER-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 53156822) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID53156822
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C20H22N4O2/c1-4-26-18-8-6-5-7-16(18)12-22-20(25)17-9-10-19(21-13-17)24-15(3)11-14(2)23-24/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyHXAGMJYIRQSTER-UHFFFAOYSA-N
XLogP3.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide (CID 53156822) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide is CCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HXAGMJYIRQSTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-26-18-8-6-5-7-16(18)12-22-20(25)17-9-10-19(21-13-17)24-15(3)11-14(2)23-24/h5-11,13H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53156822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).