N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide

C21H23N3O2 — CID 154706722

IUPACN-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide
SMILESCC(=O)CCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cccc12
InChIInChI=1S/C21H23N3O2/c1-14-9-10-22-13-19(14)24-20(26)11-16-6-4-8-18-17(12-23-21(16)18)7-3-5-15(2)25/h4,6,8-10,12-13,23H,3,5,7,11H2,1-2H3,(H,24,26)
InChIKeyRJOLFSOKCUSCPL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.96
Rot. Bonds7

About N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide

N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide (PubChem CID 154706722) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide
PubChem CID154706722
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide
SMILESCC(=O)CCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cccc12
InChIInChI=1S/C21H23N3O2/c1-14-9-10-22-13-19(14)24-20(26)11-16-6-4-8-18-17(12-23-21(16)18)7-3-5-15(2)25/h4,6,8-10,12-13,23H,3,5,7,11H2,1-2H3,(H,24,26)
InChIKeyRJOLFSOKCUSCPL-UHFFFAOYSA-N
XLogP3.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-3-pyridinyl)-5-oxohexanamide
CID 75455735
4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
CID 29371800
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407356

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide (CID 154706722) is N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide is CC(=O)CCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cccc12.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide?
The InChIKey is RJOLFSOKCUSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-9-10-22-13-19(14)24-20(26)11-16-6-4-8-18-17(12-23-21(16)18)7-3-5-15(2)25/h4,6,8-10,12-13,23H,3,5,7,11H2,1-2H3,(H,24,26).
What are the key properties of N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide?
N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide is sourced from PubChem (CID 154706722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).