N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide

C19H28N6O — CID 172900245

IUPACN-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCN(c2ccnc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H28N6O/c1-19(2,3)18-20-10-6-16(21-18)25-12-7-14(8-13-25)24(5)17(26)15-9-11-23(4)22-15/h6,9-11,14H,7-8,12-13H2,1-5H3
InChIKeyDAOKUXWJIQMUDY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.25
Rot. Bonds3

About N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide

N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 172900245) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID172900245
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCN(c2ccnc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H28N6O/c1-19(2,3)18-20-10-6-16(21-18)25-12-7-14(8-13-25)24(5)17(26)15-9-11-23(4)22-15/h6,9-11,14H,7-8,12-13H2,1-5H3
InChIKeyDAOKUXWJIQMUDY-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.25
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]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (CID 172900245) is N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C1CCN(c2ccnc(C(C)(C)C)n2)CC1.
What is the InChIKey of N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is DAOKUXWJIQMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-19(2,3)18-20-10-6-16(21-18)25-12-7-14(8-13-25)24(5)17(26)15-9-11-23(4)22-15/h6,9-11,14H,7-8,12-13H2,1-5H3.
What are the key properties of N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.25, 3 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]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172900245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).