3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide

C18H26N6O — CID 56752573

IUPAC3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCc1ccnc(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1
InChIInChI=1S/C18H26N6O/c1-13(2)12-17(25)22-16-5-9-20-24(16)15-6-10-23(11-7-15)18-19-8-4-14(3)21-18/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,22,25)
InChIKeySWJFWKLFZCBTKV-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.81
Rot. Bonds5

About 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 56752573) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID56752573
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCc1ccnc(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1
InChIInChI=1S/C18H26N6O/c1-13(2)12-17(25)22-16-5-9-20-24(16)15-6-10-23(11-7-15)18-19-8-4-14(3)21-18/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,22,25)
InChIKeySWJFWKLFZCBTKV-UHFFFAOYSA-N
XLogP2.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 56752573) is 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide is Cc1ccnc(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1.
What is the InChIKey of 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is SWJFWKLFZCBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)12-17(25)22-16-5-9-20-24(16)15-6-10-23(11-7-15)18-19-8-4-14(3)21-18/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,22,25).
What are the key properties of 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 342.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 56752573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).