N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide

C19H20FN3O2 — CID 170075573

IUPACN-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
SMILESCC(C)Cc1cc(F)cc2cc(Cn3cccc(NC=O)c3=O)[nH]c12
InChIInChI=1S/C19H20FN3O2/c1-12(2)6-13-7-15(20)8-14-9-16(22-18(13)14)10-23-5-3-4-17(19(23)25)21-11-24/h3-5,7-9,11-12,22H,6,10H2,1-2H3,(H,21,24)
InChIKeyJEXITFSHCHWQKM-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.28
Rot. Bonds6

About N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide

N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide (PubChem CID 170075573) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
PubChem CID170075573
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
SMILESCC(C)Cc1cc(F)cc2cc(Cn3cccc(NC=O)c3=O)[nH]c12
InChIInChI=1S/C19H20FN3O2/c1-12(2)6-13-7-15(20)8-14-9-16(22-18(13)14)10-23-5-3-4-17(19(23)25)21-11-24/h3-5,7-9,11-12,22H,6,10H2,1-2H3,(H,21,24)
InChIKeyJEXITFSHCHWQKM-UHFFFAOYSA-N
XLogP3.28
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide 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-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide (CID 170075573) is N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide is CC(C)Cc1cc(F)cc2cc(Cn3cccc(NC=O)c3=O)[nH]c12.
What is the InChIKey of N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
The InChIKey is JEXITFSHCHWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12(2)6-13-7-15(20)8-14-9-16(22-18(13)14)10-23-5-3-4-17(19(23)25)21-11-24/h3-5,7-9,11-12,22H,6,10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide has a molecular weight of 341.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 170075573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).