6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine

C26H33N5O — CID 18414550

IUPAC6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine
SMILESCOc1cc(CCN2CCN(CC(N)c3ccccc3)CC2)ccc1-c1cccc(N)n1
InChIInChI=1S/C26H33N5O/c1-32-25-18-20(10-11-22(25)24-8-5-9-26(28)29-24)12-13-30-14-16-31(17-15-30)19-23(27)21-6-3-2-4-7-21/h2-11,18,23H,12-17,19,27H2,1H3,(H2,28,29)
InChIKeyHZXVSPPYRQWXNH-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.20
Rot. Bonds8

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

6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine (PubChem CID 18414550) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine
PubChem CID18414550
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine
SMILESCOc1cc(CCN2CCN(CC(N)c3ccccc3)CC2)ccc1-c1cccc(N)n1
InChIInChI=1S/C26H33N5O/c1-32-25-18-20(10-11-22(25)24-8-5-9-26(28)29-24)12-13-30-14-16-31(17-15-30)19-23(27)21-6-3-2-4-7-21/h2-11,18,23H,12-17,19,27H2,1H3,(H2,28,29)
InChIKeyHZXVSPPYRQWXNH-UHFFFAOYSA-N
XLogP3.20
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine (CID 18414550) is 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine is COc1cc(CCN2CCN(CC(N)c3ccccc3)CC2)ccc1-c1cccc(N)n1.
What is the InChIKey of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine?
The InChIKey is HZXVSPPYRQWXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-32-25-18-20(10-11-22(25)24-8-5-9-26(28)29-24)12-13-30-14-16-31(17-15-30)19-23(27)21-6-3-2-4-7-21/h2-11,18,23H,12-17,19,27H2,1H3,(H2,28,29).
What are the key properties of 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine?
6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine has a molecular weight of 431.58 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine is sourced from PubChem (CID 18414550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).