1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone

C15H15FN2O2 — CID 167923965

IUPAC1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
SMILESCOc1ccc(CNc2ccc(C(C)=O)cn2)cc1F
InChIInChI=1S/C15H15FN2O2/c1-10(19)12-4-6-15(18-9-12)17-8-11-3-5-14(20-2)13(16)7-11/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyYAPCITYZJAMGJM-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.04
Rot. Bonds5

About 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone

1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone (PubChem CID 167923965) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
PubChem CID167923965
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
SMILESCOc1ccc(CNc2ccc(C(C)=O)cn2)cc1F
InChIInChI=1S/C15H15FN2O2/c1-10(19)12-4-6-15(18-9-12)17-8-11-3-5-14(20-2)13(16)7-11/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyYAPCITYZJAMGJM-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109159913
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109159891
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
CID 115147662
4-[6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155000
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone (CID 167923965) is 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone is COc1ccc(CNc2ccc(C(C)=O)cn2)cc1F.
What is the InChIKey of 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone?
The InChIKey is YAPCITYZJAMGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(19)12-4-6-15(18-9-12)17-8-11-3-5-14(20-2)13(16)7-11/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone?
1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone has a molecular weight of 274.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone is sourced from PubChem (CID 167923965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).