2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

C22H24F3N3O2 — CID 146302545

IUPAC2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(C2CC2)cc1)N[C@]1(CO)CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)18-10-19(12-26-11-18)28-8-7-21(13-28,14-29)27-20(30)9-15-1-3-16(4-2-15)17-5-6-17/h1-4,10-12,17,29H,5-9,13-14H2,(H,27,30)/t21-/m1/s1
InChIKeyRDVHYCWUHMDSPC-OAQYLSRUSA-N
MW419.45 g/mol
LogP3.28
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302545) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID146302545
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(C2CC2)cc1)N[C@]1(CO)CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)18-10-19(12-26-11-18)28-8-7-21(13-28,14-29)27-20(30)9-15-1-3-16(4-2-15)17-5-6-17/h1-4,10-12,17,29H,5-9,13-14H2,(H,27,30)/t21-/m1/s1
InChIKeyRDVHYCWUHMDSPC-OAQYLSRUSA-N
XLogP3.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302545) is 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is O=C(Cc1ccc(C2CC2)cc1)N[C@]1(CO)CCN(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RDVHYCWUHMDSPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-22(24,25)18-10-19(12-26-11-18)28-8-7-21(13-28,14-29)27-20(30)9-15-1-3-16(4-2-15)17-5-6-17/h1-4,10-12,17,29H,5-9,13-14H2,(H,27,30)/t21-/m1/s1.
What are the key properties of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).