4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide

C21H20FN3O2 — CID 113013432

IUPAC4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C21H20FN3O2/c1-27-19-4-2-3-15(13-19)11-12-23-20-10-9-18(14-24-20)25-21(26)16-5-7-17(22)8-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyGDUIANWIHBMZGM-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.14
Rot. Bonds7

About 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide

4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide (PubChem CID 113013432) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
PubChem CID113013432
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C21H20FN3O2/c1-27-19-4-2-3-15(13-19)11-12-23-20-10-9-18(14-24-20)25-21(26)16-5-7-17(22)8-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyGDUIANWIHBMZGM-UHFFFAOYSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013450
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
CID 113013416
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]oxolane-2-carboxamide
CID 113013421
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158661

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide (CID 113013432) is 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide is COc1cccc(CCNc2ccc(NC(=O)c3ccc(F)cc3)cn2)c1.
What is the InChIKey of 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
The InChIKey is GDUIANWIHBMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-4-2-3-15(13-19)11-12-23-20-10-9-18(14-24-20)25-21(26)16-5-7-17(22)8-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide?
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide has a molecular weight of 365.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113013432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).