5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide

C20H20N6O — CID 175790457

IUPAC5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(C(N)=O)nc2C2=CCCNC2)c(-c2ccccn2)n1
InChIInChI=1S/C20H20N6O/c1-26-12-15(19(25-26)16-6-2-3-10-23-16)14-7-8-17(20(21)27)24-18(14)13-5-4-9-22-11-13/h2-3,5-8,10,12,22H,4,9,11H2,1H3,(H2,21,27)
InChIKeyAOMKWKZYQBKXMP-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.02
Rot. Bonds4

About 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide

5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide (PubChem CID 175790457) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
PubChem CID175790457
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(C(N)=O)nc2C2=CCCNC2)c(-c2ccccn2)n1
InChIInChI=1S/C20H20N6O/c1-26-12-15(19(25-26)16-6-2-3-10-23-16)14-7-8-17(20(21)27)24-18(14)13-5-4-9-22-11-13/h2-3,5-8,10,12,22H,4,9,11H2,1H3,(H2,21,27)
InChIKeyAOMKWKZYQBKXMP-UHFFFAOYSA-N
XLogP2.02
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide (CID 175790457) is 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide is Cn1cc(-c2ccc(C(N)=O)nc2C2=CCCNC2)c(-c2ccccn2)n1.
What is the InChIKey of 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is AOMKWKZYQBKXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-26-12-15(19(25-26)16-6-2-3-10-23-16)14-7-8-17(20(21)27)24-18(14)13-5-4-9-22-11-13/h2-3,5-8,10,12,22H,4,9,11H2,1H3,(H2,21,27).
What are the key properties of 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide?
5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175790457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).