N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

C30H25FN6O2 — CID 59200227

IUPACN-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cccc(C#N)c2)n(Cc2cncc(-n3ccc4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C30H25FN6O2/c1-19(33-2)29(38)35-26-7-9-28(22-5-3-4-20(12-22)15-32)37(30(26)39)18-21-13-25(17-34-16-21)36-11-10-23-14-24(31)6-8-27(23)36/h3-14,16-17,19,33H,18H2,1-2H3,(H,35,38)
InChIKeyQPLFAXPAUBGETQ-UHFFFAOYSA-N
MW520.57 g/mol
LogP4.46
Rot. Bonds7

About N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 59200227) has the molecular formula C30H25FN6O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID59200227
Molecular FormulaC30H25FN6O2
Molecular Weight520.57 g/mol
Exact Mass520.20
IUPAC NameN-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cccc(C#N)c2)n(Cc2cncc(-n3ccc4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C30H25FN6O2/c1-19(33-2)29(38)35-26-7-9-28(22-5-3-4-20(12-22)15-32)37(30(26)39)18-21-13-25(17-34-16-21)36-11-10-23-14-24(31)6-8-27(23)36/h3-14,16-17,19,33H,18H2,1-2H3,(H,35,38)
InChIKeyQPLFAXPAUBGETQ-UHFFFAOYSA-N
XLogP4.46
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (CID 59200227) is N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2cccc(C#N)c2)n(Cc2cncc(-n3ccc4cc(F)ccc43)c2)c1=O.
What is the InChIKey of N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is QPLFAXPAUBGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O2/c1-19(33-2)29(38)35-26-7-9-28(22-5-3-4-20(12-22)15-32)37(30(26)39)18-21-13-25(17-34-16-21)36-11-10-23-14-24(31)6-8-27(23)36/h3-14,16-17,19,33H,18H2,1-2H3,(H,35,38).
What are the key properties of N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 520.57 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1-[[5-(5-fluoroindol-1-yl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 59200227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).