(3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C24H28F3N5O2 — CID 158192655

IUPAC(3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N2C[C@H](C)CC2=O)c1
InChIInChI=1S/C24H28F3N5O2/c1-14-7-22(33)32(12-14)21-9-17(8-20(28)30-21)19-10-18(4-3-15(19)2)29-23(34)31-6-5-16(13-31)11-24(25,26)27/h3-4,8-10,14,16H,5-7,11-13H2,1-2H3,(H2,28,30)(H,29,34)/t14-,16+/m1/s1
InChIKeyMLOPLQPNDHIBRJ-ZBFHGGJFSA-N
MW475.52 g/mol
LogP4.82
Rot. Bonds4

About (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 158192655) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID158192655
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name(3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N2C[C@H](C)CC2=O)c1
InChIInChI=1S/C24H28F3N5O2/c1-14-7-22(33)32(12-14)21-9-17(8-20(28)30-21)19-10-18(4-3-15(19)2)29-23(34)31-6-5-16(13-31)11-24(25,26)27/h3-4,8-10,14,16H,5-7,11-13H2,1-2H3,(H2,28,30)(H,29,34)/t14-,16+/m1/s1
InChIKeyMLOPLQPNDHIBRJ-ZBFHGGJFSA-N
XLogP4.82
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 158192655) is (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N2C[C@H](C)CC2=O)c1.
What is the InChIKey of (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is MLOPLQPNDHIBRJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-14-7-22(33)32(12-14)21-9-17(8-20(28)30-21)19-10-18(4-3-15(19)2)29-23(34)31-6-5-16(13-31)11-24(25,26)27/h3-4,8-10,14,16H,5-7,11-13H2,1-2H3,(H2,28,30)(H,29,34)/t14-,16+/m1/s1.
What are the key properties of (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[2-amino-6-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 158192655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).