6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide

C15H13N5O — CID 110472224

IUPAC6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cnn(-c3ccncc3)c2)n1
InChIInChI=1S/C15H13N5O/c1-11-3-2-4-14(18-11)15(21)19-12-9-17-20(10-12)13-5-7-16-8-6-13/h2-10H,1H3,(H,19,21)
InChIKeyHOPPVVUBRZQMEK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide

6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 110472224) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID110472224
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cnn(-c3ccncc3)c2)n1
InChIInChI=1S/C15H13N5O/c1-11-3-2-4-14(18-11)15(21)19-12-9-17-20(10-12)13-5-7-16-8-6-13/h2-10H,1H3,(H,19,21)
InChIKeyHOPPVVUBRZQMEK-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 110472224) is 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cnn(-c3ccncc3)c2)n1.
What is the InChIKey of 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is HOPPVVUBRZQMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-3-2-4-14(18-11)15(21)19-12-9-17-20(10-12)13-5-7-16-8-6-13/h2-10H,1H3,(H,19,21).
What are the key properties of 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110472224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).