6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide

C13H16N4O — CID 47151732

IUPAC6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccnn2C(C)C)n1
InChIInChI=1S/C13H16N4O/c1-9(2)17-12(7-8-14-17)16-13(18)11-6-4-5-10(3)15-11/h4-9H,1-3H3,(H,16,18)
InChIKeyXVUUNZJYLFAHEO-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.42
Rot. Bonds3

About 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide

6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 47151732) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID47151732
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccnn2C(C)C)n1
InChIInChI=1S/C13H16N4O/c1-9(2)17-12(7-8-14-17)16-13(18)11-6-4-5-10(3)15-11/h4-9H,1-3H3,(H,16,18)
InChIKeyXVUUNZJYLFAHEO-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide (CID 47151732) is 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccnn2C(C)C)n1.
What is the InChIKey of 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is XVUUNZJYLFAHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)17-12(7-8-14-17)16-13(18)11-6-4-5-10(3)15-11/h4-9H,1-3H3,(H,16,18).
What are the key properties of 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 47151732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).