5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide

C23H26N6O2 — CID 154654486

IUPAC5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1/C=C/c1cccnc1
InChIInChI=1S/C23H26N6O2/c1-16-20(7-5-17-4-3-11-24-14-17)22(28-27-16)23(30)26-18-6-8-21(25-15-18)31-19-9-12-29(2)13-10-19/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H,26,30)(H,27,28)/b7-5+
InChIKeyAKOQWYMWQARYOD-FNORWQNLSA-N
MW418.50 g/mol
LogP3.40
Rot. Bonds6

About 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide (PubChem CID 154654486) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide
PubChem CID154654486
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1/C=C/c1cccnc1
InChIInChI=1S/C23H26N6O2/c1-16-20(7-5-17-4-3-11-24-14-17)22(28-27-16)23(30)26-18-6-8-21(25-15-18)31-19-9-12-29(2)13-10-19/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H,26,30)(H,27,28)/b7-5+
InChIKeyAKOQWYMWQARYOD-FNORWQNLSA-N
XLogP3.40
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide (CID 154654486) is 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1/C=C/c1cccnc1.
What is the InChIKey of 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AKOQWYMWQARYOD-FNORWQNLSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-20(7-5-17-4-3-11-24-14-17)22(28-27-16)23(30)26-18-6-8-21(25-15-18)31-19-9-12-29(2)13-10-19/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H,26,30)(H,27,28)/b7-5+.
What are the key properties of 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154654486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).