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

C14H19F3N4O — CID 146302811

IUPAC2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCN(C)CC(=O)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N4O/c1-20(2)9-13(22)19-11-3-4-21(8-11)12-5-10(6-18-7-12)14(15,16)17/h5-7,11H,3-4,8-9H2,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyPMLCGRSEAJPVCQ-LLVKDONJSA-N
MW316.33 g/mol
LogP1.36
Rot. Bonds4

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

2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302811) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID146302811
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCN(C)CC(=O)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N4O/c1-20(2)9-13(22)19-11-3-4-21(8-11)12-5-10(6-18-7-12)14(15,16)17/h5-7,11H,3-4,8-9H2,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyPMLCGRSEAJPVCQ-LLVKDONJSA-N
XLogP1.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302608
2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302661
2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 146302777
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302646
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
CID 146302614
2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 153395147
2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302548
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate
CID 113424237
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302811) is 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is CN(C)CC(=O)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PMLCGRSEAJPVCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-20(2)9-13(22)19-11-3-4-21(8-11)12-5-10(6-18-7-12)14(15,16)17/h5-7,11H,3-4,8-9H2,1-2H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 316.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).