N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide

C20H22F3N3O — CID 165043198

IUPACN-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(N2CC[C@@H](NC(=O)C(C)c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C20H22F3N3O/c1-13-3-8-18(11-24-13)26-10-9-17(12-26)25-19(27)14(2)15-4-6-16(7-5-15)20(21,22)23/h3-8,11,14,17H,9-10,12H2,1-2H3,(H,25,27)/t14?,17-/m1/s1
InChIKeyOLVYOPHHUUEEQR-FBMWCMRBSA-N
MW377.41 g/mol
LogP3.91
Rot. Bonds4

About N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide

N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 165043198) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID165043198
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(N2CC[C@@H](NC(=O)C(C)c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C20H22F3N3O/c1-13-3-8-18(11-24-13)26-10-9-17(12-26)25-19(27)14(2)15-4-6-16(7-5-15)20(21,22)23/h3-8,11,14,17H,9-10,12H2,1-2H3,(H,25,27)/t14?,17-/m1/s1
InChIKeyOLVYOPHHUUEEQR-FBMWCMRBSA-N
XLogP3.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide (CID 165043198) is N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide is Cc1ccc(N2CC[C@@H](NC(=O)C(C)c3ccc(C(F)(F)F)cc3)C2)cn1.
What is the InChIKey of N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OLVYOPHHUUEEQR-FBMWCMRBSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-13-3-8-18(11-24-13)26-10-9-17(12-26)25-19(27)14(2)15-4-6-16(7-5-15)20(21,22)23/h3-8,11,14,17H,9-10,12H2,1-2H3,(H,25,27)/t14?,17-/m1/s1.
What are the key properties of N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 165043198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).