4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C35H41FN4O — CID 135216173

IUPAC4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCc1c(C)nc(Nc2cc(C)ccn2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c1N1CCC(C)(C)CC1
InChIInChI=1S/C35H41FN4O/c1-6-30-25(3)38-34(39-31-23-24(2)15-19-37-31)32(33(30)40-20-17-35(4,5)18-21-40)27-9-13-29(14-10-27)41-22-16-26-7-11-28(36)12-8-26/h7-15,19,23H,6,16-18,20-22H2,1-5H3,(H,37,38,39)
InChIKeyIYVSNEFXDAWRLF-UHFFFAOYSA-N
MW552.74 g/mol
LogP8.45
Rot. Bonds9

About 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine

4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 135216173) has the molecular formula C35H41FN4O and a molecular weight of 552.74 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID135216173
Molecular FormulaC35H41FN4O
Molecular Weight552.74 g/mol
Exact Mass552.33
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCc1c(C)nc(Nc2cc(C)ccn2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c1N1CCC(C)(C)CC1
InChIInChI=1S/C35H41FN4O/c1-6-30-25(3)38-34(39-31-23-24(2)15-19-37-31)32(33(30)40-20-17-35(4,5)18-21-40)27-9-13-29(14-10-27)41-22-16-26-7-11-28(36)12-8-26/h7-15,19,23H,6,16-18,20-22H2,1-5H3,(H,37,38,39)
InChIKeyIYVSNEFXDAWRLF-UHFFFAOYSA-N
XLogP8.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.74
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 135216173) is 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine is CCc1c(C)nc(Nc2cc(C)ccn2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c1N1CCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is IYVSNEFXDAWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN4O/c1-6-30-25(3)38-34(39-31-23-24(2)15-19-37-31)32(33(30)40-20-17-35(4,5)18-21-40)27-9-13-29(14-10-27)41-22-16-26-7-11-28(36)12-8-26/h7-15,19,23H,6,16-18,20-22H2,1-5H3,(H,37,38,39).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 552.74 g/mol, XLogP of 8.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 135216173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).