(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide

C15H15F3N4O2 — CID 32877863

IUPAC(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)12-5-6-19-14(21-12)22-7-1-4-11(22)13(23)20-9-10-3-2-8-24-10/h2-3,5-6,8,11H,1,4,7,9H2,(H,20,23)/t11-/m0/s1
InChIKeyUVCDFRGRSZPLJD-NSHDSACASA-N
MW340.31 g/mol
LogP2.37
Rot. Bonds4

About (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 32877863) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID32877863
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)12-5-6-19-14(21-12)22-7-1-4-11(22)13(23)20-9-10-3-2-8-24-10/h2-3,5-6,8,11H,1,4,7,9H2,(H,20,23)/t11-/m0/s1
InChIKeyUVCDFRGRSZPLJD-NSHDSACASA-N
XLogP2.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-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

(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781
N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 4881632
(2R)-1-(6-ethoxypyrazin-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636784
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide
CID 91662072

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 32877863) is (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccco1)[C@@H]1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UVCDFRGRSZPLJD-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)12-5-6-19-14(21-12)22-7-1-4-11(22)13(23)20-9-10-3-2-8-24-10/h2-3,5-6,8,11H,1,4,7,9H2,(H,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 32877863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).