3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide

C21H18FN3O2 — CID 175599487

IUPAC3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide
SMILESCOc1ccc2c(c1)[nH]c1c(NC(=O)CCc3cccc(F)c3)nccc12
InChIInChI=1S/C21H18FN3O2/c1-27-15-6-7-16-17-9-10-23-21(20(17)24-18(16)12-15)25-19(26)8-5-13-3-2-4-14(22)11-13/h2-4,6-7,9-12,24H,5,8H2,1H3,(H,23,25,26)
InChIKeyXDSYLSLWXKPSHV-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.44
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide

3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide (PubChem CID 175599487) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide
PubChem CID175599487
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide
SMILESCOc1ccc2c(c1)[nH]c1c(NC(=O)CCc3cccc(F)c3)nccc12
InChIInChI=1S/C21H18FN3O2/c1-27-15-6-7-16-17-9-10-23-21(20(17)24-18(16)12-15)25-19(26)8-5-13-3-2-4-14(22)11-13/h2-4,6-7,9-12,24H,5,8H2,1H3,(H,23,25,26)
InChIKeyXDSYLSLWXKPSHV-UHFFFAOYSA-N
XLogP4.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide (CID 175599487) is 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide is COc1ccc2c(c1)[nH]c1c(NC(=O)CCc3cccc(F)c3)nccc12.
What is the InChIKey of 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide?
The InChIKey is XDSYLSLWXKPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-27-15-6-7-16-17-9-10-23-21(20(17)24-18(16)12-15)25-19(26)8-5-13-3-2-4-14(22)11-13/h2-4,6-7,9-12,24H,5,8H2,1H3,(H,23,25,26).
What are the key properties of 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide?
3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide has a molecular weight of 363.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide is sourced from PubChem (CID 175599487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).