6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C24H23N3O2 — CID 155540476

IUPAC6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C24H23N3O2/c1-16-20(21-8-3-4-9-23(21)27-16)12-13-25-24(28)18-10-11-22(26-15-18)17-6-5-7-19(14-17)29-2/h3-11,14-15,27H,12-13H2,1-2H3,(H,25,28)
InChIKeyPGYYQZCSXRPWAB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.52
Rot. Bonds6

About 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 155540476) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID155540476
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C24H23N3O2/c1-16-20(21-8-3-4-9-23(21)27-16)12-13-25-24(28)18-10-11-22(26-15-18)17-6-5-7-19(14-17)29-2/h3-11,14-15,27H,12-13H2,1-2H3,(H,25,28)
InChIKeyPGYYQZCSXRPWAB-UHFFFAOYSA-N
XLogP4.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71975738
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128760
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
CID 89102295
CID 89102295
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 155540476) is 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is COc1cccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is PGYYQZCSXRPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-20(21-8-3-4-9-23(21)27-16)12-13-25-24(28)18-10-11-22(26-15-18)17-6-5-7-19(14-17)29-2/h3-11,14-15,27H,12-13H2,1-2H3,(H,25,28).
What are the key properties of 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155540476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).