(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C22H27N3O2 — CID 42516215

IUPAC(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1CC1CCCC1
InChIInChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26)/t20-/m1/s1
InChIKeyYHGZVXWMCIIZJM-HXUWFJFHSA-N
MW365.48 g/mol
LogP4.47
Rot. Bonds6

About (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 42516215) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID42516215
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1CC1CCCC1
InChIInChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26)/t20-/m1/s1
InChIKeyYHGZVXWMCIIZJM-HXUWFJFHSA-N
XLogP4.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 42516215) is (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1CC1CCCC1.
What is the InChIKey of (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YHGZVXWMCIIZJM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42516215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).