5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide

C19H22N2O3 — CID 166268206

IUPAC5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)NCC2CCc3ccccc3C2)cc1=O
InChIInChI=1S/C19H22N2O3/c1-21-12-18(24-2)17(22)10-16(21)19(23)20-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,23)
InChIKeyGODXPYZFAPPYBP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.93
Rot. Bonds4

About 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide

5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 166268206) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID166268206
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)NCC2CCc3ccccc3C2)cc1=O
InChIInChI=1S/C19H22N2O3/c1-21-12-18(24-2)17(22)10-16(21)19(23)20-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,23)
InChIKeyGODXPYZFAPPYBP-UHFFFAOYSA-N
XLogP1.93
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide (CID 166268206) is 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide is COc1cn(C)c(C(=O)NCC2CCc3ccccc3C2)cc1=O.
What is the InChIKey of 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GODXPYZFAPPYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21-12-18(24-2)17(22)10-16(21)19(23)20-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,23).
What are the key properties of 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide?
5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166268206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).