4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine

C19H19FN4O2 — CID 126678849

IUPAC4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine
SMILESCOc1ccc(-c2cccc(F)c2)cc1COc1cc(N)nc(N)c1N
InChIInChI=1S/C19H19FN4O2/c1-25-15-6-5-12(11-3-2-4-14(20)8-11)7-13(15)10-26-16-9-17(21)24-19(23)18(16)22/h2-9H,10,22H2,1H3,(H4,21,23,24)
InChIKeySUBHIEGSGSIZDC-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.22
Rot. Bonds5

About 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine

4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine (PubChem CID 126678849) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine
PubChem CID126678849
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine
SMILESCOc1ccc(-c2cccc(F)c2)cc1COc1cc(N)nc(N)c1N
InChIInChI=1S/C19H19FN4O2/c1-25-15-6-5-12(11-3-2-4-14(20)8-11)7-13(15)10-26-16-9-17(21)24-19(23)18(16)22/h2-9H,10,22H2,1H3,(H4,21,23,24)
InChIKeySUBHIEGSGSIZDC-UHFFFAOYSA-N
XLogP3.22
TPSA109.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-Cyanoanilino)-6-methoxy-4-pyridyl]oxy]-3,5-dimethyl-benzonitrile
CID 76314483
4-[[2-(4-Cyanoanilino)-6-(2-methoxyethylamino)-4-pyridyl]oxy]-3,5-dimethyl-benzonitrile
CID 127027328
4-[[6-(2-Methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridyl]amino]benzonitrile
CID 127027368
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-6-(2-methoxyethylamino)-2-pyridinyl]amino]benzonitrile
CID 134816960
6-methoxy-N-(p-tolyl)-4-(2,4,6-trimethylphenoxy)pyridin-2-amine
CID 76318063
6-(4-Fluorophenyl)-5-(4-methoxyphenyl)pyridin-2-amine
CID 122196325
2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 1763778
2-Amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 1763862
2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 1769661
2-Amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1769667
2-Amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 1769676
5-Fluoro-6-[2-(3'-methoxy-biphenyl-3-yl)-ethyl]-pyridin-2-ylamine
CID 11544312

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine?
The IUPAC name of 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine (CID 126678849) is 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine is COc1ccc(-c2cccc(F)c2)cc1COc1cc(N)nc(N)c1N.
What is the InChIKey of 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine?
The InChIKey is SUBHIEGSGSIZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-25-15-6-5-12(11-3-2-4-14(20)8-11)7-13(15)10-26-16-9-17(21)24-19(23)18(16)22/h2-9H,10,22H2,1H3,(H4,21,23,24).
What are the key properties of 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine?
4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine has a molecular weight of 354.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine is sourced from PubChem (CID 126678849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).