2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

C20H22FN3O2 — CID 70716419

IUPAC2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)Cc1c(C)[nH]c2c(F)cccc12
InChIInChI=1S/C20H22FN3O2/c1-11-8-12(2)23-20(26-4)16(11)10-22-18(25)9-15-13(3)24-19-14(15)6-5-7-17(19)21/h5-8,24H,9-10H2,1-4H3,(H,22,25)
InChIKeyIXUJAQVSROLBJB-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.49
Rot. Bonds5

About 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide (PubChem CID 70716419) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
PubChem CID70716419
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)Cc1c(C)[nH]c2c(F)cccc12
InChIInChI=1S/C20H22FN3O2/c1-11-8-12(2)23-20(26-4)16(11)10-22-18(25)9-15-13(3)24-19-14(15)6-5-7-17(19)21/h5-8,24H,9-10H2,1-4H3,(H,22,25)
InChIKeyIXUJAQVSROLBJB-UHFFFAOYSA-N
XLogP3.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

5-[[[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72932073
N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 70737035
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 70709474
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 154849911
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
2-(3-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148124
2-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148125

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide (CID 70716419) is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide is COc1nc(C)cc(C)c1CNC(=O)Cc1c(C)[nH]c2c(F)cccc12.
What is the InChIKey of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The InChIKey is IXUJAQVSROLBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-11-8-12(2)23-20(26-4)16(11)10-22-18(25)9-15-13(3)24-19-14(15)6-5-7-17(19)21/h5-8,24H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 70716419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).