(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

C13H17F3N4O — CID 95548875

IUPAC(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N4O/c1-17-11(21)9-4-7-20(8-9)12-18-6-3-10(19-12)2-5-13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3,(H,17,21)/t9-/m1/s1
InChIKeyCGFXMCIZZFHTGK-SECBINFHSA-N
MW302.30 g/mol
LogP1.54
Rot. Bonds4

About (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 95548875) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
PubChem CID95548875
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N4O/c1-17-11(21)9-4-7-20(8-9)12-18-6-3-10(19-12)2-5-13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3,(H,17,21)/t9-/m1/s1
InChIKeyCGFXMCIZZFHTGK-SECBINFHSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
4-hydroxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56872070
4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 171704184
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
2-[(3S)-3-phenylpiperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 95553696
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate
CID 95539511
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (CID 95548875) is (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CCN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is CGFXMCIZZFHTGK-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-17-11(21)9-4-7-20(8-9)12-18-6-3-10(19-12)2-5-13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3,(H,17,21)/t9-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95548875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).