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

C23H26F3N3O2 — CID 146302628

IUPAC2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCOC[C@@]1(NC(=O)Cc2ccc(C3CC3)cc2)CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H26F3N3O2/c1-31-15-22(28-21(30)10-16-2-4-17(5-3-16)18-6-7-18)8-9-29(14-22)20-11-19(12-27-13-20)23(24,25)26/h2-5,11-13,18H,6-10,14-15H2,1H3,(H,28,30)/t22-/m1/s1
InChIKeyNTCCROWNPYDEMU-JOCHJYFZSA-N
MW433.47 g/mol
LogP3.93
Rot. Bonds7

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

2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302628) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID146302628
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCOC[C@@]1(NC(=O)Cc2ccc(C3CC3)cc2)CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H26F3N3O2/c1-31-15-22(28-21(30)10-16-2-4-17(5-3-16)18-6-7-18)8-9-29(14-22)20-11-19(12-27-13-20)23(24,25)26/h2-5,11-13,18H,6-10,14-15H2,1H3,(H,28,30)/t22-/m1/s1
InChIKeyNTCCROWNPYDEMU-JOCHJYFZSA-N
XLogP3.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302628) is 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is COC[C@@]1(NC(=O)Cc2ccc(C3CC3)cc2)CCN(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is NTCCROWNPYDEMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-31-15-22(28-21(30)10-16-2-4-17(5-3-16)18-6-7-18)8-9-29(14-22)20-11-19(12-27-13-20)23(24,25)26/h2-5,11-13,18H,6-10,14-15H2,1H3,(H,28,30)/t22-/m1/s1.
What are the key properties of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).