6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide

C15H19N3O2 — CID 119430450

IUPAC6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C15H19N3O2/c1-11-12(15(19)17-9-4-8-16-2)6-7-13(18-11)14-5-3-10-20-14/h3,5-7,10,16H,4,8-9H2,1-2H3,(H,17,19)
InChIKeyQHRZPDYJPZQDHV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds6

About 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide

6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide (PubChem CID 119430450) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
PubChem CID119430450
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C15H19N3O2/c1-11-12(15(19)17-9-4-8-16-2)6-7-13(18-11)14-5-3-10-20-14/h3,5-7,10,16H,4,8-9H2,1-2H3,(H,17,19)
InChIKeyQHRZPDYJPZQDHV-UHFFFAOYSA-N
XLogP1.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide (CID 119430450) is 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide is CNCCCNC(=O)c1ccc(-c2ccco2)nc1C.
What is the InChIKey of 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The InChIKey is QHRZPDYJPZQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-12(15(19)17-9-4-8-16-2)6-7-13(18-11)14-5-3-10-20-14/h3,5-7,10,16H,4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 119430450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).