3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide

C16H18N2O2 — CID 31100473

IUPAC3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H18N2O2/c1-20-15-7-4-5-13(11-15)8-9-16(19)18-12-14-6-2-3-10-17-14/h2-7,10-11H,8-9,12H2,1H3,(H,18,19)
InChIKeyZLFQADHNIVKHQG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.34
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide

3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 31100473) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID31100473
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H18N2O2/c1-20-15-7-4-5-13(11-15)8-9-16(19)18-12-14-6-2-3-10-17-14/h2-7,10-11H,8-9,12H2,1H3,(H,18,19)
InChIKeyZLFQADHNIVKHQG-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide (CID 31100473) is 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide is COc1cccc(CCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ZLFQADHNIVKHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-7-4-5-13(11-15)8-9-16(19)18-12-14-6-2-3-10-17-14/h2-7,10-11H,8-9,12H2,1H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 31100473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).