5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

C13H20N4O — CID 81318919

IUPAC5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(N)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-16-7-5-11(6-8-16)17(2)13(18)12-4-3-10(14)9-15-12/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyUDFCIBOUPFKNHL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds2

About 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 81318919) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID81318919
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(N)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-16-7-5-11(6-8-16)17(2)13(18)12-4-3-10(14)9-15-12/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyUDFCIBOUPFKNHL-UHFFFAOYSA-N
XLogP0.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (CID 81318919) is 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is CN1CCC(N(C)C(=O)c2ccc(N)cn2)CC1.
What is the InChIKey of 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is UDFCIBOUPFKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-7-5-11(6-8-16)17(2)13(18)12-4-3-10(14)9-15-12/h3-4,9,11H,5-8,14H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 81318919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).