6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide

C19H28N6O — CID 46974832

IUPAC6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2c(C)nn(C)c2C)nc(N2CCCCC2)n1
InChIInChI=1S/C19H28N6O/c1-13-12-17(22-19(21-13)25-10-6-5-7-11-25)18(26)20-9-8-16-14(2)23-24(4)15(16)3/h12H,5-11H2,1-4H3,(H,20,26)
InChIKeyNQJGVSRIIMQAMW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.10
Rot. Bonds5

About 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide

6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 46974832) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID46974832
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2c(C)nn(C)c2C)nc(N2CCCCC2)n1
InChIInChI=1S/C19H28N6O/c1-13-12-17(22-19(21-13)25-10-6-5-7-11-25)18(26)20-9-8-16-14(2)23-24(4)15(16)3/h12H,5-11H2,1-4H3,(H,20,26)
InChIKeyNQJGVSRIIMQAMW-UHFFFAOYSA-N
XLogP2.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide (CID 46974832) is 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2c(C)nn(C)c2C)nc(N2CCCCC2)n1.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is NQJGVSRIIMQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-12-17(22-19(21-13)25-10-6-5-7-11-25)18(26)20-9-8-16-14(2)23-24(4)15(16)3/h12H,5-11H2,1-4H3,(H,20,26).
What are the key properties of 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46974832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).