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

C29H36N4O — CID 54381772

IUPAC6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2OC2CCC2)n1
InChIInChI=1S/C29H36N4O/c30-29-11-5-10-27(31-29)26-13-12-24(22-28(26)34-25-8-4-9-25)15-17-33-20-18-32(19-21-33)16-14-23-6-2-1-3-7-23/h1-3,5-7,10-13,22,25H,4,8-9,14-21H2,(H2,30,31)
InChIKeyVAKNGUAJSSBUAJ-UHFFFAOYSA-N
MW456.63 g/mol
LogP4.66
Rot. Bonds9

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

6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 54381772) has the molecular formula C29H36N4O and a molecular weight of 456.63 g/mol. Its IUPAC name is 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID54381772
Molecular FormulaC29H36N4O
Molecular Weight456.63 g/mol
Exact Mass456.29
IUPAC Name6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2OC2CCC2)n1
InChIInChI=1S/C29H36N4O/c30-29-11-5-10-27(31-29)26-13-12-24(22-28(26)34-25-8-4-9-25)15-17-33-20-18-32(19-21-33)16-14-23-6-2-1-3-7-23/h1-3,5-7,10-13,22,25H,4,8-9,14-21H2,(H2,30,31)
InChIKeyVAKNGUAJSSBUAJ-UHFFFAOYSA-N
XLogP4.66
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 22624295
1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine
CID 141006758
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine
CID 18414435
6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
CID 22624316
6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
CID 12016074
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394
6-[4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414414
1-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-1-benzylurea
CID 57279783
4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
CID 66624899
6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]naphthalen-1-yl]pyridin-2-amine
CID 11473924
6-[4-(2-piperidin-1-ylethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine
CID 22236396

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 54381772) is 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2OC2CCC2)n1.
What is the InChIKey of 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is VAKNGUAJSSBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O/c30-29-11-5-10-27(31-29)26-13-12-24(22-28(26)34-25-8-4-9-25)15-17-33-20-18-32(19-21-33)16-14-23-6-2-1-3-7-23/h1-3,5-7,10-13,22,25H,4,8-9,14-21H2,(H2,30,31).
What are the key properties of 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 456.63 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 54381772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).