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

C21H23F3N4O — CID 153395147

IUPAC2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESNC(C(=O)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1)c1ccc(C2CC2)cc1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)16-9-18(11-26-10-16)28-8-7-17(12-28)27-20(29)19(25)15-5-3-14(4-6-15)13-1-2-13/h3-6,9-11,13,17,19H,1-2,7-8,12,25H2,(H,27,29)/t17-,19?/m1/s1
InChIKeyYBUSTOFPJHHLMT-DUSLRRAJSA-N
MW404.44 g/mol
LogP3.37
Rot. Bonds5

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

2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 153395147) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID153395147
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESNC(C(=O)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1)c1ccc(C2CC2)cc1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)16-9-18(11-26-10-16)28-8-7-17(12-28)27-20(29)19(25)15-5-3-14(4-6-15)13-1-2-13/h3-6,9-11,13,17,19H,1-2,7-8,12,25H2,(H,27,29)/t17-,19?/m1/s1
InChIKeyYBUSTOFPJHHLMT-DUSLRRAJSA-N
XLogP3.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 153395147) is 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is NC(C(=O)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is YBUSTOFPJHHLMT-DUSLRRAJSA-N. The full InChI is InChI=1S/C21H23F3N4O/c22-21(23,24)16-9-18(11-26-10-16)28-8-7-17(12-28)27-20(29)19(25)15-5-3-14(4-6-15)13-1-2-13/h3-6,9-11,13,17,19H,1-2,7-8,12,25H2,(H,27,29)/t17-,19?/m1/s1.
What are the key properties of 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 404.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 153395147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).