3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide

C17H17N5O — CID 165415191

IUPAC3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C17H17N5O/c1-11-7-8-12(2)19-16(11)17(23)20-15-10-14(21-22(15)3)13-6-4-5-9-18-13/h4-10H,1-3H3,(H,20,23)
InChIKeyGQLVQIKWFHPWBN-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.75
Rot. Bonds3

About 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide

3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 165415191) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide
PubChem CID165415191
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C17H17N5O/c1-11-7-8-12(2)19-16(11)17(23)20-15-10-14(21-22(15)3)13-6-4-5-9-18-13/h4-10H,1-3H3,(H,20,23)
InChIKeyGQLVQIKWFHPWBN-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide (CID 165415191) is 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide is Cc1ccc(C)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1.
What is the InChIKey of 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is GQLVQIKWFHPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-7-8-12(2)19-16(11)17(23)20-15-10-14(21-22(15)3)13-6-4-5-9-18-13/h4-10H,1-3H3,(H,20,23).
What are the key properties of 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide?
3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165415191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).