N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C23H19N3OS — CID 59374245

IUPACN-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCSc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C23H19N3OS/c1-28-20-7-4-6-17(16-20)21-8-5-15-25-23(21)27-19-12-10-18(11-13-19)26-22-9-2-3-14-24-22/h2-16H,1H3,(H,24,26)
InChIKeyFGVGSCOEMNWLMY-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.40
Rot. Bonds6

About N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 59374245) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID59374245
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCSc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C23H19N3OS/c1-28-20-7-4-6-17(16-20)21-8-5-15-25-23(21)27-19-12-10-18(11-13-19)26-22-9-2-3-14-24-22/h2-16H,1H3,(H,24,26)
InChIKeyFGVGSCOEMNWLMY-UHFFFAOYSA-N
XLogP6.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374061
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
CID 46830612
2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine
CID 70875223
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile
CID 67425705
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 68604886
N-[4-(3-aminophenoxy)phenyl]pyridin-2-amine
CID 173139958
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]but-3-yn-2-ol
CID 67425972
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 91503354
N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374131

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 59374245) is N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is CSc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is FGVGSCOEMNWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-28-20-7-4-6-17(16-20)21-8-5-15-25-23(21)27-19-12-10-18(11-13-19)26-22-9-2-3-14-24-22/h2-16H,1H3,(H,24,26).
What are the key properties of N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 385.49 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59374245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).