N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide

C15H20N6O — CID 136568235

IUPACN-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCCC(c3nncn3C)C2)ccn1
InChIInChI=1S/C15H20N6O/c1-16-15(22)13-8-12(5-6-17-13)21-7-3-4-11(9-21)14-19-18-10-20(14)2/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,16,22)
InChIKeyMPMGIQAQSIVJRU-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide

N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 136568235) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID136568235
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCCC(c3nncn3C)C2)ccn1
InChIInChI=1S/C15H20N6O/c1-16-15(22)13-8-12(5-6-17-13)21-7-3-4-11(9-21)14-19-18-10-20(14)2/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,16,22)
InChIKeyMPMGIQAQSIVJRU-UHFFFAOYSA-N
XLogP0.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide (CID 136568235) is N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1cc(N2CCCC(c3nncn3C)C2)ccn1.
What is the InChIKey of N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is MPMGIQAQSIVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-16-15(22)13-8-12(5-6-17-13)21-7-3-4-11(9-21)14-19-18-10-20(14)2/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,16,22).
What are the key properties of N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136568235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).