N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C23H27F3N4O3 — CID 52525487

IUPACN-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C23H27F3N4O3/c1-2-6-19(22(32)28-17-7-5-8-18(13-17)30-11-3-4-12-30)29-21(31)16-9-10-20(27-14-16)33-15-23(24,25)26/h5,7-10,13-14,19H,2-4,6,11-12,15H2,1H3,(H,28,32)(H,29,31)/t19-/m1/s1
InChIKeyAYEYSPPZWIAHML-LJQANCHMSA-N
MW464.49 g/mol
LogP4.16
Rot. Bonds9

About N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 52525487) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID52525487
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC NameN-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C23H27F3N4O3/c1-2-6-19(22(32)28-17-7-5-8-18(13-17)30-11-3-4-12-30)29-21(31)16-9-10-20(27-14-16)33-15-23(24,25)26/h5,7-10,13-14,19H,2-4,6,11-12,15H2,1H3,(H,28,32)(H,29,31)/t19-/m1/s1
InChIKeyAYEYSPPZWIAHML-LJQANCHMSA-N
XLogP4.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46563842
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
6-fluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-benzimidazole-4-carboxamide
CID 52526858
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005
N-[3-(propylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705978
5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide
CID 51133026
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 52525487) is N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCC[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is AYEYSPPZWIAHML-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-2-6-19(22(32)28-17-7-5-8-18(13-17)30-11-3-4-12-30)29-21(31)16-9-10-20(27-14-16)33-15-23(24,25)26/h5,7-10,13-14,19H,2-4,6,11-12,15H2,1H3,(H,28,32)(H,29,31)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 52525487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).