(2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide

C21H19F3N6O3 — CID 71283231

IUPAC(2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide
SMILESNC(=O)[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)N=CC=C(NC2CCNC2=O)N1
InChIInChI=1S/C21H19F3N6O3/c22-21(23,24)13-3-6-17(27-11-13)33-14-4-1-12(2-5-14)20(19(25)32)28-10-8-16(30-20)29-15-7-9-26-18(15)31/h1-6,8,10-11,15,29-30H,7,9H2,(H2,25,32)(H,26,31)/t15?,20-/m1/s1
InChIKeyHKZDJAUVNAIRKQ-YQYDADCPSA-N
MW460.42 g/mol
LogP1.52
Rot. Bonds6

About (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide

(2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide (PubChem CID 71283231) has the molecular formula C21H19F3N6O3 and a molecular weight of 460.42 g/mol. Its IUPAC name is (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide
PubChem CID71283231
Molecular FormulaC21H19F3N6O3
Molecular Weight460.42 g/mol
Exact Mass460.15
IUPAC Name(2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide
SMILESNC(=O)[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)N=CC=C(NC2CCNC2=O)N1
InChIInChI=1S/C21H19F3N6O3/c22-21(23,24)13-3-6-17(27-11-13)33-14-4-1-12(2-5-14)20(19(25)32)28-10-8-16(30-20)29-15-7-9-26-18(15)31/h1-6,8,10-11,15,29-30H,7,9H2,(H2,25,32)(H,26,31)/t15?,20-/m1/s1
InChIKeyHKZDJAUVNAIRKQ-YQYDADCPSA-N
XLogP1.52
TPSA130.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide?
The IUPAC name of (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide (CID 71283231) is (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide.
What is the SMILES notation for (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide?
The canonical SMILES for (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide is NC(=O)[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)N=CC=C(NC2CCNC2=O)N1.
What is the InChIKey of (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide?
The InChIKey is HKZDJAUVNAIRKQ-YQYDADCPSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c22-21(23,24)13-3-6-17(27-11-13)33-14-4-1-12(2-5-14)20(19(25)32)28-10-8-16(30-20)29-15-7-9-26-18(15)31/h1-6,8,10-11,15,29-30H,7,9H2,(H2,25,32)(H,26,31)/t15?,20-/m1/s1.
What are the key properties of (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide?
(2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrimidine-2-carboxamide is sourced from PubChem (CID 71283231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).