N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide

C26H30ClF3N4O3 — CID 134296129

IUPACN-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)[C@@H](CC(F)(F)F)NC(=O)C1CCCN1C(=O)C(Cc1cccc(Cl)c1)NC(=O)c1ccccn1
InChIInChI=1S/C26H30ClF3N4O3/c1-16(2)21(15-26(28,29)30)33-24(36)22-10-6-12-34(22)25(37)20(14-17-7-5-8-18(27)13-17)32-23(35)19-9-3-4-11-31-19/h3-5,7-9,11,13,16,20-22H,6,10,12,14-15H2,1-2H3,(H,32,35)(H,33,36)/t20?,21-,22?/m1/s1
InChIKeySGSLQZVIZZLSAE-ATKRNPRHSA-N
MW539.00 g/mol
LogP4.16
Rot. Bonds9

About N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide

N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide (PubChem CID 134296129) has the molecular formula C26H30ClF3N4O3 and a molecular weight of 539.00 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide
PubChem CID134296129
Molecular FormulaC26H30ClF3N4O3
Molecular Weight539.00 g/mol
Exact Mass538.20
IUPAC NameN-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)[C@@H](CC(F)(F)F)NC(=O)C1CCCN1C(=O)C(Cc1cccc(Cl)c1)NC(=O)c1ccccn1
InChIInChI=1S/C26H30ClF3N4O3/c1-16(2)21(15-26(28,29)30)33-24(36)22-10-6-12-34(22)25(37)20(14-17-7-5-8-18(27)13-17)32-23(35)19-9-3-4-11-31-19/h3-5,7-9,11,13,16,20-22H,6,10,12,14-15H2,1-2H3,(H,32,35)(H,33,36)/t20?,21-,22?/m1/s1
InChIKeySGSLQZVIZZLSAE-ATKRNPRHSA-N
XLogP4.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.00
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide (CID 134296129) is N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide is CC(C)[C@@H](CC(F)(F)F)NC(=O)C1CCCN1C(=O)C(Cc1cccc(Cl)c1)NC(=O)c1ccccn1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide?
The InChIKey is SGSLQZVIZZLSAE-ATKRNPRHSA-N. The full InChI is InChI=1S/C26H30ClF3N4O3/c1-16(2)21(15-26(28,29)30)33-24(36)22-10-6-12-34(22)25(37)20(14-17-7-5-8-18(27)13-17)32-23(35)19-9-3-4-11-31-19/h3-5,7-9,11,13,16,20-22H,6,10,12,14-15H2,1-2H3,(H,32,35)(H,33,36)/t20?,21-,22?/m1/s1.
What are the key properties of N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide?
N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide has a molecular weight of 539.00 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-oxo-1-[2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134296129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).