(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide

C21H25N3O2 — CID 156839155

IUPAC(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(OC2CC(NC(=O)[C@H]3CNC[C@@H]3c3ccccc3)C2)cn1
InChIInChI=1S/C21H25N3O2/c1-14-7-8-17(11-23-14)26-18-9-16(10-18)24-21(25)20-13-22-12-19(20)15-5-3-2-4-6-15/h2-8,11,16,18-20,22H,9-10,12-13H2,1H3,(H,24,25)/t16?,18?,19-,20+/m1/s1
InChIKeySSXDDXTVZWWJSH-HFPIOELMSA-N
MW351.45 g/mol
LogP2.42
Rot. Bonds5

About (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide

(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide (PubChem CID 156839155) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide
PubChem CID156839155
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(OC2CC(NC(=O)[C@H]3CNC[C@@H]3c3ccccc3)C2)cn1
InChIInChI=1S/C21H25N3O2/c1-14-7-8-17(11-23-14)26-18-9-16(10-18)24-21(25)20-13-22-12-19(20)15-5-3-2-4-6-15/h2-8,11,16,18-20,22H,9-10,12-13H2,1H3,(H,24,25)/t16?,18?,19-,20+/m1/s1
InChIKeySSXDDXTVZWWJSH-HFPIOELMSA-N
XLogP2.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide (CID 156839155) is (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide is Cc1ccc(OC2CC(NC(=O)[C@H]3CNC[C@@H]3c3ccccc3)C2)cn1.
What is the InChIKey of (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is SSXDDXTVZWWJSH-HFPIOELMSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-7-8-17(11-23-14)26-18-9-16(10-18)24-21(25)20-13-22-12-19(20)15-5-3-2-4-6-15/h2-8,11,16,18-20,22H,9-10,12-13H2,1H3,(H,24,25)/t16?,18?,19-,20+/m1/s1.
What are the key properties of (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide?
(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156839155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).