N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C16H22N6O2 — CID 51106966

IUPACN-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-21-11-13(10-19-21)15(23)18-9-12-4-7-22(8-5-12)16-17-6-3-14(20-16)24-2/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,18,23)
InChIKeyOXYFAYBKGAPLHZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.87
Rot. Bonds5

About N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 51106966) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID51106966
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-21-11-13(10-19-21)15(23)18-9-12-4-7-22(8-5-12)16-17-6-3-14(20-16)24-2/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,18,23)
InChIKeyOXYFAYBKGAPLHZ-UHFFFAOYSA-N
XLogP0.87
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 51106966) is N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is COc1ccnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1.
What is the InChIKey of N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is OXYFAYBKGAPLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-11-13(10-19-21)15(23)18-9-12-4-7-22(8-5-12)16-17-6-3-14(20-16)24-2/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,18,23).
What are the key properties of N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51106966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).