3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide

C16H18N2O2 — CID 112532458

IUPAC3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C)nc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-14(11-17-12)18-16(19)9-7-13-4-3-5-15(10-13)20-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19)
InChIKeyRZIKWNWNXQODKO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.97
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide

3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide (PubChem CID 112532458) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
PubChem CID112532458
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C)nc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-14(11-17-12)18-16(19)9-7-13-4-3-5-15(10-13)20-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19)
InChIKeyRZIKWNWNXQODKO-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide (CID 112532458) is 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide is COc1cccc(CCC(=O)Nc2ccc(C)nc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide?
The InChIKey is RZIKWNWNXQODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-8-14(11-17-12)18-16(19)9-7-13-4-3-5-15(10-13)20-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide?
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 112532458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).