3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide

C18H22FN3O2 — CID 84588011

IUPAC3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(C(C)NCCC(=O)Nc2ccc(C)cn2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-12-4-7-17(21-11-12)22-18(23)8-9-20-13(2)14-5-6-16(24-3)15(19)10-14/h4-7,10-11,13,20H,8-9H2,1-3H3,(H,21,22,23)
InChIKeyIZAMHXVHTVBOQL-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.22
Rot. Bonds7

About 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide

3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 84588011) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID84588011
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(C(C)NCCC(=O)Nc2ccc(C)cn2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-12-4-7-17(21-11-12)22-18(23)8-9-20-13(2)14-5-6-16(24-3)15(19)10-14/h4-7,10-11,13,20H,8-9H2,1-3H3,(H,21,22,23)
InChIKeyIZAMHXVHTVBOQL-UHFFFAOYSA-N
XLogP3.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
CID 61022683
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 171697744
3-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111202913
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide (CID 84588011) is 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide is COc1ccc(C(C)NCCC(=O)Nc2ccc(C)cn2)cc1F.
What is the InChIKey of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is IZAMHXVHTVBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-4-7-17(21-11-12)22-18(23)8-9-20-13(2)14-5-6-16(24-3)15(19)10-14/h4-7,10-11,13,20H,8-9H2,1-3H3,(H,21,22,23).
What are the key properties of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 84588011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).