6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

C26H32N4O — CID 22624301

IUPAC6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCOc1cc(C(C)N2CCN(CCc3ccccc3)CC2)ccc1-c1cccc(N)n1
InChIInChI=1S/C26H32N4O/c1-20(30-17-15-29(16-18-30)14-13-21-7-4-3-5-8-21)22-11-12-23(25(19-22)31-2)24-9-6-10-26(27)28-24/h3-12,19-20H,13-18H2,1-2H3,(H2,27,28)
InChIKeyXCJZTEHIKKOBSG-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.26
Rot. Bonds7

About 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 22624301) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID22624301
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCOc1cc(C(C)N2CCN(CCc3ccccc3)CC2)ccc1-c1cccc(N)n1
InChIInChI=1S/C26H32N4O/c1-20(30-17-15-29(16-18-30)14-13-21-7-4-3-5-8-21)22-11-12-23(25(19-22)31-2)24-9-6-10-26(27)28-24/h3-12,19-20H,13-18H2,1-2H3,(H2,27,28)
InChIKeyXCJZTEHIKKOBSG-UHFFFAOYSA-N
XLogP4.26
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 22624301) is 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is COc1cc(C(C)N2CCN(CCc3ccccc3)CC2)ccc1-c1cccc(N)n1.
What is the InChIKey of 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is XCJZTEHIKKOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-20(30-17-15-29(16-18-30)14-13-21-7-4-3-5-8-21)22-11-12-23(25(19-22)31-2)24-9-6-10-26(27)28-24/h3-12,19-20H,13-18H2,1-2H3,(H2,27,28).
What are the key properties of 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 416.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 22624301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).