3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C17H19FN2O2 — CID 87041482

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(C)n2)cc1F
InChIInChI=1S/C17H19FN2O2/c1-12-4-3-5-14(20-12)11-19-17(21)9-7-13-6-8-16(22-2)15(18)10-13/h3-6,8,10H,7,9,11H2,1-2H3,(H,19,21)
InChIKeyLAGKOKHQTWZZMN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.79
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 87041482) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID87041482
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(C)n2)cc1F
InChIInChI=1S/C17H19FN2O2/c1-12-4-3-5-14(20-12)11-19-17(21)9-7-13-6-8-16(22-2)15(18)10-13/h3-6,8,10H,7,9,11H2,1-2H3,(H,19,21)
InChIKeyLAGKOKHQTWZZMN-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ro 24-0238
CID 6439060
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CID 137636173
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
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N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 87041482) is 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cccc(C)n2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is LAGKOKHQTWZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-4-3-5-14(20-12)11-19-17(21)9-7-13-6-8-16(22-2)15(18)10-13/h3-6,8,10H,7,9,11H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 302.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 87041482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).