2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C26H24N2O2 — CID 67308427

IUPAC2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)ccc2c1
InChIInChI=1S/C26H24N2O2/c1-17-14-23(12-13-27-17)19-6-9-24(10-7-19)28-26(29)18(2)20-4-5-22-16-25(30-3)11-8-21(22)15-20/h4-16,18H,1-3H3,(H,28,29)
InChIKeyQXXZRYIXSVXYJZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.96
Rot. Bonds5

About 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 67308427) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID67308427
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)ccc2c1
InChIInChI=1S/C26H24N2O2/c1-17-14-23(12-13-27-17)19-6-9-24(10-7-19)28-26(29)18(2)20-4-5-22-16-25(30-3)11-8-21(22)15-20/h4-16,18H,1-3H3,(H,28,29)
InChIKeyQXXZRYIXSVXYJZ-UHFFFAOYSA-N
XLogP5.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 67308427) is 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is COc1ccc2cc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is QXXZRYIXSVXYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17-14-23(12-13-27-17)19-6-9-24(10-7-19)28-26(29)18(2)20-4-5-22-16-25(30-3)11-8-21(22)15-20/h4-16,18H,1-3H3,(H,28,29).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 67308427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).