N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

About N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 174715533) has the molecular formula C27H26F5N5O5 and a molecular weight of 595.53 g/mol. Its IUPAC name is N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name	N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID	174715533
Molecular Formula	C27H26F5N5O5
Molecular Weight	595.53 g/mol
Exact Mass	595.19
IUPAC Name	N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILES	C[C@@H]1C[C@@H](CC(NC(=O)c2cc(C(F)F)ccc2NC(=O)c2ccnc(C(F)(F)F)c2)C(=O)C(=O)NC2CC2)C(=O)N1
InChI	InChI=1S/C27H26F5N5O5/c1-12-8-15(24(40)34-12)10-19(21(38)26(42)35-16-3-4-16)37-25(41)17-9-13(22(28)29)2-5-18(17)36-23(39)14-6-7-33-20(11-14)27(30,31)32/h2,5-7,9,11-12,15-16,19,22H,3-4,8,10H2,1H3,(H,34,40)(H,35,42)(H,36,39)(H,37,41)/t12-,15+,19?/m1/s1
InChIKey	BZXSQQYEWNBKEV-LKZXSFHQSA-N
XLogP	3.15
TPSA	146.36 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.53
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 174715533) is N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C[C@@H]1C[C@@H](CC(NC(=O)c2cc(C(F)F)ccc2NC(=O)c2ccnc(C(F)(F)F)c2)C(=O)C(=O)NC2CC2)C(=O)N1.

What is the InChIKey of N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is BZXSQQYEWNBKEV-LKZXSFHQSA-N. The full InChI is InChI=1S/C27H26F5N5O5/c1-12-8-15(24(40)34-12)10-19(21(38)26(42)35-16-3-4-16)37-25(41)17-9-13(22(28)29)2-5-18(17)36-23(39)14-6-7-33-20(11-14)27(30,31)32/h2,5-7,9,11-12,15-16,19,22H,3-4,8,10H2,1H3,(H,34,40)(H,35,42)(H,36,39)(H,37,41)/t12-,15+,19?/m1/s1.

What are the key properties of N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 595.53 g/mol, XLogP of 3.15, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(cyclopropylamino)-1-[(3S,5R)-5-methyl-2-oxopyrrolidin-3-yl]-3,4-dioxobutan-2-yl]carbamoyl]-4-(difluoromethyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 174715533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).