2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride

C23H28ClF3N4O — CID 146302777

IUPAC2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCN(C)C(C(=O)NC1CCN(c2cncc(C(F)(F)F)c2)C1)c1ccc(C2CC2)cc1.Cl
InChIInChI=1S/C23H27F3N4O.ClH/c1-29(2)21(17-7-5-16(6-8-17)15-3-4-15)22(31)28-19-9-10-30(14-19)20-11-18(12-27-13-20)23(24,25)26;/h5-8,11-13,15,19,21H,3-4,9-10,14H2,1-2H3,(H,28,31);1H
InChIKeyQRZYFHIJKQKXCT-UHFFFAOYSA-N
MW468.95 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride

2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 146302777) has the molecular formula C23H28ClF3N4O and a molecular weight of 468.95 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID146302777
Molecular FormulaC23H28ClF3N4O
Molecular Weight468.95 g/mol
Exact Mass468.19
IUPAC Name2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCN(C)C(C(=O)NC1CCN(c2cncc(C(F)(F)F)c2)C1)c1ccc(C2CC2)cc1.Cl
InChIInChI=1S/C23H27F3N4O.ClH/c1-29(2)21(17-7-5-16(6-8-17)15-3-4-15)22(31)28-19-9-10-30(14-19)20-11-18(12-27-13-20)23(24,25)26;/h5-8,11-13,15,19,21H,3-4,9-10,14H2,1-2H3,(H,28,31);1H
InChIKeyQRZYFHIJKQKXCT-UHFFFAOYSA-N
XLogP4.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride (CID 146302777) is 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride is CN(C)C(C(=O)NC1CCN(c2cncc(C(F)(F)F)c2)C1)c1ccc(C2CC2)cc1.Cl.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is QRZYFHIJKQKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O.ClH/c1-29(2)21(17-7-5-16(6-8-17)15-3-4-15)22(31)28-19-9-10-30(14-19)20-11-18(12-27-13-20)23(24,25)26;/h5-8,11-13,15,19,21H,3-4,9-10,14H2,1-2H3,(H,28,31);1H.
What are the key properties of 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride?
2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 468.95 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 146302777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).