6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide

C23H24F3N5O3 — CID 118182419

IUPAC6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(CN[C@H]2CCNC2=O)nc(C2=CCC(Oc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)14-3-7-17(8-4-14)34-16-5-1-13(2-6-16)21-30-15(11-19(31-21)20(27)32)12-29-18-9-10-28-22(18)33/h1,3-4,7-8,11,16,18,29H,2,5-6,9-10,12H2,(H2,27,32)(H,28,33)/t16?,18-/m0/s1
InChIKeyMJVPYKXLSAXOSB-DAFXYXGESA-N
MW475.47 g/mol
LogP2.59
Rot. Bonds7

About 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide

6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide (PubChem CID 118182419) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide
PubChem CID118182419
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(CN[C@H]2CCNC2=O)nc(C2=CCC(Oc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)14-3-7-17(8-4-14)34-16-5-1-13(2-6-16)21-30-15(11-19(31-21)20(27)32)12-29-18-9-10-28-22(18)33/h1,3-4,7-8,11,16,18,29H,2,5-6,9-10,12H2,(H2,27,32)(H,28,33)/t16?,18-/m0/s1
InChIKeyMJVPYKXLSAXOSB-DAFXYXGESA-N
XLogP2.59
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-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 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide (CID 118182419) is 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide is NC(=O)c1cc(CN[C@H]2CCNC2=O)nc(C2=CCC(Oc3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide?
The InChIKey is MJVPYKXLSAXOSB-DAFXYXGESA-N. The full InChI is InChI=1S/C23H24F3N5O3/c24-23(25,26)14-3-7-17(8-4-14)34-16-5-1-13(2-6-16)21-30-15(11-19(31-21)20(27)32)12-29-18-9-10-28-22(18)33/h1,3-4,7-8,11,16,18,29H,2,5-6,9-10,12H2,(H2,27,32)(H,28,33)/t16?,18-/m0/s1.
What are the key properties of 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide?
6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).