3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide

C35H36FN5O3 — CID 66992722

IUPAC3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cccc(C(=O)N(C)C)c2C)n(Cc2cccc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C35H36FN5O3/c1-21-19-40(32-15-13-25(36)18-29(21)32)26-10-7-9-24(17-26)20-41-31(16-14-30(35(41)44)38-33(42)23(3)37-4)27-11-8-12-28(22(27)2)34(43)39(5)6/h7-19,23,37H,20H2,1-6H3,(H,38,42)
InChIKeySZRXXICLHAYWIR-UHFFFAOYSA-N
MW593.70 g/mol
LogP5.51
Rot. Bonds8

About 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide

3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide (PubChem CID 66992722) has the molecular formula C35H36FN5O3 and a molecular weight of 593.70 g/mol. Its IUPAC name is 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide
PubChem CID66992722
Molecular FormulaC35H36FN5O3
Molecular Weight593.70 g/mol
Exact Mass593.28
IUPAC Name3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cccc(C(=O)N(C)C)c2C)n(Cc2cccc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C35H36FN5O3/c1-21-19-40(32-15-13-25(36)18-29(21)32)26-10-7-9-24(17-26)20-41-31(16-14-30(35(41)44)38-33(42)23(3)37-4)27-11-8-12-28(22(27)2)34(43)39(5)6/h7-19,23,37H,20H2,1-6H3,(H,38,42)
InChIKeySZRXXICLHAYWIR-UHFFFAOYSA-N
XLogP5.51
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide 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 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide?
The IUPAC name of 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide (CID 66992722) is 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide is CNC(C)C(=O)Nc1ccc(-c2cccc(C(=O)N(C)C)c2C)n(Cc2cccc(-n3cc(C)c4cc(F)ccc43)c2)c1=O.
What is the InChIKey of 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide?
The InChIKey is SZRXXICLHAYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN5O3/c1-21-19-40(32-15-13-25(36)18-29(21)32)26-10-7-9-24(17-26)20-41-31(16-14-30(35(41)44)38-33(42)23(3)37-4)27-11-8-12-28(22(27)2)34(43)39(5)6/h7-19,23,37H,20H2,1-6H3,(H,38,42).
What are the key properties of 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide?
3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide has a molecular weight of 593.70 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(5-fluoro-3-methylindol-1-yl)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 66992722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).