1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide

C18H26N6O — CID 95829336

IUPAC1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(Cn3cc(C(=O)N(C)C)cn3)CC2)n1
InChIInChI=1S/C18H26N6O/c1-13-9-14(2)21-18(20-13)23-7-5-15(6-8-23)11-24-12-16(10-19-24)17(25)22(3)4/h9-10,12,15H,5-8,11H2,1-4H3
InChIKeyRXNQTDCCBBXKRP-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.91
Rot. Bonds4

About 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide

1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide (PubChem CID 95829336) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
PubChem CID95829336
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(Cn3cc(C(=O)N(C)C)cn3)CC2)n1
InChIInChI=1S/C18H26N6O/c1-13-9-14(2)21-18(20-13)23-7-5-15(6-8-23)11-24-12-16(10-19-24)17(25)22(3)4/h9-10,12,15H,5-8,11H2,1-4H3
InChIKeyRXNQTDCCBBXKRP-UHFFFAOYSA-N
XLogP1.91
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide (CID 95829336) is 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide is Cc1cc(C)nc(N2CCC(Cn3cc(C(=O)N(C)C)cn3)CC2)n1.
What is the InChIKey of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
The InChIKey is RXNQTDCCBBXKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-9-14(2)21-18(20-13)23-7-5-15(6-8-23)11-24-12-16(10-19-24)17(25)22(3)4/h9-10,12,15H,5-8,11H2,1-4H3.
What are the key properties of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 95829336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).