5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C16H26N4O — CID 131924706

IUPAC5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C(C)C)C(C)C2)nc1C
InChIInChI=1S/C16H26N4O/c1-10(2)20-7-6-19(9-12(20)4)16-14(15(17)21)8-11(3)13(5)18-16/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)
InChIKeyINXQZLFGRITBQQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds3

About 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide

5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 131924706) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID131924706
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C(C)C)C(C)C2)nc1C
InChIInChI=1S/C16H26N4O/c1-10(2)20-7-6-19(9-12(20)4)16-14(15(17)21)8-11(3)13(5)18-16/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)
InChIKeyINXQZLFGRITBQQ-UHFFFAOYSA-N
XLogP1.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 131924706) is 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2CCN(C(C)C)C(C)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is INXQZLFGRITBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)20-7-6-19(9-12(20)4)16-14(15(17)21)8-11(3)13(5)18-16/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21).
What are the key properties of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 131924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).