6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine

C24H33N3O — CID 22624316

IUPAC6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(OC3CCCC3)c2)C1
InChIInChI=1S/C24H33N3O/c1-17(2)15-27-13-12-19(16-27)18-10-11-21(22-8-5-9-24(25)26-22)23(14-18)28-20-6-3-4-7-20/h5,8-11,14,17,19-20H,3-4,6-7,12-13,15-16H2,1-2H3,(H2,25,26)
InChIKeyJCIIRIRPJGZRSS-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.10
Rot. Bonds6

About 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine

6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine (PubChem CID 22624316) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
PubChem CID22624316
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(OC3CCCC3)c2)C1
InChIInChI=1S/C24H33N3O/c1-17(2)15-27-13-12-19(16-27)18-10-11-21(22-8-5-9-24(25)26-22)23(14-18)28-20-6-3-4-7-20/h5,8-11,14,17,19-20H,3-4,6-7,12-13,15-16H2,1-2H3,(H2,25,26)
InChIKeyJCIIRIRPJGZRSS-UHFFFAOYSA-N
XLogP5.10
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine (CID 22624316) is 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine is CC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(OC3CCCC3)c2)C1.
What is the InChIKey of 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
The InChIKey is JCIIRIRPJGZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-17(2)15-27-13-12-19(16-27)18-10-11-21(22-8-5-9-24(25)26-22)23(14-18)28-20-6-3-4-7-20/h5,8-11,14,17,19-20H,3-4,6-7,12-13,15-16H2,1-2H3,(H2,25,26).
What are the key properties of 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine has a molecular weight of 379.55 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopentyloxy-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 22624316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).