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'}

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Related Compounds

N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
CID 153403281
[7-(dimethylamino)-1-[[1-[[7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl] N-methylcarbamate
CID 146348951
[(E)-3,3-dideuterio-7-(dimethylamino)-1-[[1-[[7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl] N,N-dimethylcarbamate
CID 146348005
N-[1-[[6-(2-methylpropoxy)-7H-purin-8-yl]methyl]-2-oxo-3-pyridinyl]formamide
CID 170077434
methyl N-[7-(dimethylamino)-1-[[1-[[7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamate
CID 175136482
methyl carbamate;(E)-N-[1-[[7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-7-oxo-7-pyrrolidin-1-ylhept-5-enamide
CID 153402864
CID 153403228
CID 153403228
N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide
CID 153403078
methyl N-[(E)-1-[[1-[[7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxo-7-pyrrolidin-1-ylhept-5-en-2-yl]carbamate
CID 175143002
methyl N-[1-[[1-[[7-(2,2-dimethylpropyl)-5-fluoro-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxo-7-pyrrolidin-1-ylhept-5-en-2-yl]carbamate
CID 175143592
(E)-N'-[1-[[7-(2,2-difluoroethoxy)-5-fluoro-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]hept-2-enediamide;methyl carbamate
CID 153403072
[(E,3S)-1-[1-[(5-fluoro-7-propyl-1H-indol-2-yl)methyl]-2-oxo-3-pyridinyl]-2,8-dioxodec-6-en-3-yl] N,N-dimethylcarbamate
CID 160500446

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).