6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine

C30H28F2N4O — CID 123614613

IUPAC6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine
SMILESC=Cc1c(-c2cncc(-c3ccc(OC4CCNCC4)cc3)c2)cc(-c2cc(F)ccc2F)nc1NC
InChIInChI=1S/C30H28F2N4O/c1-3-25-26(16-29(36-30(25)33-2)27-15-22(31)6-9-28(27)32)21-14-20(17-35-18-21)19-4-7-23(8-5-19)37-24-10-12-34-13-11-24/h3-9,14-18,24,34H,1,10-13H2,2H3,(H,33,36)
InChIKeyZYMBGBAHEWGITQ-UHFFFAOYSA-N
MW498.58 g/mol
LogP6.57
Rot. Bonds7

About 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine

6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine (PubChem CID 123614613) has the molecular formula C30H28F2N4O and a molecular weight of 498.58 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine
PubChem CID123614613
Molecular FormulaC30H28F2N4O
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine
SMILESC=Cc1c(-c2cncc(-c3ccc(OC4CCNCC4)cc3)c2)cc(-c2cc(F)ccc2F)nc1NC
InChIInChI=1S/C30H28F2N4O/c1-3-25-26(16-29(36-30(25)33-2)27-15-22(31)6-9-28(27)32)21-14-20(17-35-18-21)19-4-7-23(8-5-19)37-24-10-12-34-13-11-24/h3-9,14-18,24,34H,1,10-13H2,2H3,(H,33,36)
InChIKeyZYMBGBAHEWGITQ-UHFFFAOYSA-N
XLogP6.57
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
US10155760, Example 12
CID 118420154
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
7-{3-(Aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
CID 146025977

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine (CID 123614613) is 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine is C=Cc1c(-c2cncc(-c3ccc(OC4CCNCC4)cc3)c2)cc(-c2cc(F)ccc2F)nc1NC.
What is the InChIKey of 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is ZYMBGBAHEWGITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N4O/c1-3-25-26(16-29(36-30(25)33-2)27-15-22(31)6-9-28(27)32)21-14-20(17-35-18-21)19-4-7-23(8-5-19)37-24-10-12-34-13-11-24/h3-9,14-18,24,34H,1,10-13H2,2H3,(H,33,36).
What are the key properties of 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine?
6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 498.58 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 123614613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).