N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C20H30N6O — CID 172900726

IUPACN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC1CCN(c2ccnc(C(C)(C)C)n2)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-21-9-6-17(23-19)26-10-7-15(8-11-26)13-24(4)18(27)16-12-22-25(5)14-16/h6,9,12,14-15H,7-8,10-11,13H2,1-5H3
InChIKeyXXZRTGHBQMWVJF-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.50
Rot. Bonds4

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

N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 172900726) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID172900726
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC1CCN(c2ccnc(C(C)(C)C)n2)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-21-9-6-17(23-19)26-10-7-15(8-11-26)13-24(4)18(27)16-12-22-25(5)14-16/h6,9,12,14-15H,7-8,10-11,13H2,1-5H3
InChIKeyXXZRTGHBQMWVJF-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 172900726) is N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is CN(CC1CCN(c2ccnc(C(C)(C)C)n2)CC1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is XXZRTGHBQMWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-20(2,3)19-21-9-6-17(23-19)26-10-7-15(8-11-26)13-24(4)18(27)16-12-22-25(5)14-16/h6,9,12,14-15H,7-8,10-11,13H2,1-5H3.
What are the key properties of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172900726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).