2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol

C20H20FN3O — CID 75439252

IUPAC2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)C(c2ccc(F)cc2)c2cccnc2)n1
InChIInChI=1S/C20H20FN3O/c1-14-5-10-19(25)18(23-14)13-24(2)20(16-4-3-11-22-12-16)15-6-8-17(21)9-7-15/h3-12,20,25H,13H2,1-2H3
InChIKeyWSMGQQIGPIMWQJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.85
Rot. Bonds5

About 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol

2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 75439252) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID75439252
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)C(c2ccc(F)cc2)c2cccnc2)n1
InChIInChI=1S/C20H20FN3O/c1-14-5-10-19(25)18(23-14)13-24(2)20(16-4-3-11-22-12-16)15-6-8-17(21)9-7-15/h3-12,20,25H,13H2,1-2H3
InChIKeyWSMGQQIGPIMWQJ-UHFFFAOYSA-N
XLogP3.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 97212801
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
4-[dimethylamino(pyridin-3-yl)methyl]aniline
CID 116907051
(1S)-1-(4-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 97238486
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 18144888
(1S)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 97079286
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 97076119
2-[[cyclopentyl(methyl)amino]methyl]-6-methylpyridin-3-ol
CID 82975195
3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
CID 86935664

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol (CID 75439252) is 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN(C)C(c2ccc(F)cc2)c2cccnc2)n1.
What is the InChIKey of 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is WSMGQQIGPIMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-5-10-19(25)18(23-14)13-24(2)20(16-4-3-11-22-12-16)15-6-8-17(21)9-7-15/h3-12,20,25H,13H2,1-2H3.
What are the key properties of 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 337.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 75439252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).