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

C21H17F3N6O3 — CID 71283234

IUPAC6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(NC2CCNC2=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C21H17F3N6O3/c22-21(23,24)12-3-6-17(27-10-12)33-13-4-1-11(2-5-13)19-29-15(18(25)31)9-16(30-19)28-14-7-8-26-20(14)32/h1-6,9-10,14H,7-8H2,(H2,25,31)(H,26,32)(H,28,29,30)
InChIKeyAEOJAAYXUVZZMW-UHFFFAOYSA-N
MW458.40 g/mol
LogP2.75
Rot. Bonds6

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

6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (PubChem CID 71283234) has the molecular formula C21H17F3N6O3 and a molecular weight of 458.40 g/mol. Its IUPAC name is 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
PubChem CID71283234
Molecular FormulaC21H17F3N6O3
Molecular Weight458.40 g/mol
Exact Mass458.13
IUPAC Name6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(NC2CCNC2=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C21H17F3N6O3/c22-21(23,24)12-3-6-17(27-10-12)33-13-4-1-11(2-5-13)19-29-15(18(25)31)9-16(30-19)28-14-7-8-26-20(14)32/h1-6,9-10,14H,7-8H2,(H2,25,31)(H,26,32)(H,28,29,30)
InChIKeyAEOJAAYXUVZZMW-UHFFFAOYSA-N
XLogP2.75
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Related Compounds

N-{2-[(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-5-fluorophenyl}-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139446226
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 71544013
2-amino-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 89463725
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (CID 71283234) is 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is NC(=O)c1cc(NC2CCNC2=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The InChIKey is AEOJAAYXUVZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O3/c22-21(23,24)12-3-6-17(27-10-12)33-13-4-1-11(2-5-13)19-29-15(18(25)31)9-16(30-19)28-14-7-8-26-20(14)32/h1-6,9-10,14H,7-8H2,(H2,25,31)(H,26,32)(H,28,29,30).
What are the key properties of 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide has a molecular weight of 458.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxopyrrolidin-3-yl)amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71283234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).