6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide

C13H17N3O2 — CID 171776724

IUPAC6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCNCC2)c(OC)n1
InChIInChI=1S/C13H17N3O2/c1-14-12(17)11-4-3-10(13(16-11)18-2)9-5-7-15-8-6-9/h3-5,15H,6-8H2,1-2H3,(H,14,17)
InChIKeyUYJIDSDSVULNLN-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.83
Rot. Bonds3

About 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide

6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide (PubChem CID 171776724) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide
PubChem CID171776724
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCNCC2)c(OC)n1
InChIInChI=1S/C13H17N3O2/c1-14-12(17)11-4-3-10(13(16-11)18-2)9-5-7-15-8-6-9/h3-5,15H,6-8H2,1-2H3,(H,14,17)
InChIKeyUYJIDSDSVULNLN-UHFFFAOYSA-N
XLogP0.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide (CID 171776724) is 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCNCC2)c(OC)n1.
What is the InChIKey of 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide?
The InChIKey is UYJIDSDSVULNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-12(17)11-4-3-10(13(16-11)18-2)9-5-7-15-8-6-9/h3-5,15H,6-8H2,1-2H3,(H,14,17).
What are the key properties of 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide?
6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171776724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).