6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C22H24N4O2 — CID 56738964

IUPAC6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-14-4-3-5-17(12-14)19-13-23-25-20(19)16-8-10-26(11-9-16)22(28)18-7-6-15(2)24-21(18)27/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeySHMMYTJYJODHSA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.40
Rot. Bonds3

About 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56738964) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56738964
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-14-4-3-5-17(12-14)19-13-23-25-20(19)16-8-10-26(11-9-16)22(28)18-7-6-15(2)24-21(18)27/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeySHMMYTJYJODHSA-UHFFFAOYSA-N
XLogP3.40
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56738964) is 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1.
What is the InChIKey of 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SHMMYTJYJODHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-4-3-5-17(12-14)19-13-23-25-20(19)16-8-10-26(11-9-16)22(28)18-7-6-15(2)24-21(18)27/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56738964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).