2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

C17H16N4O2 — CID 118716965

IUPAC2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1
InChIInChI=1S/C17H16N4O2/c1-11-5-7-12(8-6-11)14-10-15(21-20-14)19-16(22)13-4-3-9-18-17(13)23-2/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeySOCLKFQCLCATCD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.04
Rot. Bonds4

About 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 118716965) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID118716965
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1
InChIInChI=1S/C17H16N4O2/c1-11-5-7-12(8-6-11)14-10-15(21-20-14)19-16(22)13-4-3-9-18-17(13)23-2/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeySOCLKFQCLCATCD-UHFFFAOYSA-N
XLogP3.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 118716965) is 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1.
What is the InChIKey of 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is SOCLKFQCLCATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-5-7-12(8-6-11)14-10-15(21-20-14)19-16(22)13-4-3-9-18-17(13)23-2/h3-10H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118716965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).