2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide

C16H22N6O — CID 53190057

IUPAC2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cnn(-c2ncncc2N2CCCCC2)c1
InChIInChI=1S/C16H22N6O/c1-12(2)16(23)20-13-8-19-22(10-13)15-14(9-17-11-18-15)21-6-4-3-5-7-21/h8-12H,3-7H2,1-2H3,(H,20,23)
InChIKeyIHYMMWJZVRFZMV-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide

2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide (PubChem CID 53190057) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
PubChem CID53190057
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cnn(-c2ncncc2N2CCCCC2)c1
InChIInChI=1S/C16H22N6O/c1-12(2)16(23)20-13-8-19-22(10-13)15-14(9-17-11-18-15)21-6-4-3-5-7-21/h8-12H,3-7H2,1-2H3,(H,20,23)
InChIKeyIHYMMWJZVRFZMV-UHFFFAOYSA-N
XLogP2.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide (CID 53190057) is 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide is CC(C)C(=O)Nc1cnn(-c2ncncc2N2CCCCC2)c1.
What is the InChIKey of 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
The InChIKey is IHYMMWJZVRFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(2)16(23)20-13-8-19-22(10-13)15-14(9-17-11-18-15)21-6-4-3-5-7-21/h8-12H,3-7H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53190057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).