2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one

C23H29N3O2 — CID 91833355

IUPAC2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(CCc2c[nH]c3ccccc23)C2CCCCC2)cc1=O
InChIInChI=1S/C23H29N3O2/c1-28-23-15-24-18(13-22(23)27)16-26(19-7-3-2-4-8-19)12-11-17-14-25-21-10-6-5-9-20(17)21/h5-6,9-10,13-15,19,25H,2-4,7-8,11-12,16H2,1H3,(H,24,27)
InChIKeyNISJUECWCVXZCA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.24
Rot. Bonds7

About 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one

2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 91833355) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one
PubChem CID91833355
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(CCc2c[nH]c3ccccc23)C2CCCCC2)cc1=O
InChIInChI=1S/C23H29N3O2/c1-28-23-15-24-18(13-22(23)27)16-26(19-7-3-2-4-8-19)12-11-17-14-25-21-10-6-5-9-20(17)21/h5-6,9-10,13-15,19,25H,2-4,7-8,11-12,16H2,1H3,(H,24,27)
InChIKeyNISJUECWCVXZCA-UHFFFAOYSA-N
XLogP4.24
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one (CID 91833355) is 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(CN(CCc2c[nH]c3ccccc23)C2CCCCC2)cc1=O.
What is the InChIKey of 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is NISJUECWCVXZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-23-15-24-18(13-22(23)27)16-26(19-7-3-2-4-8-19)12-11-17-14-25-21-10-6-5-9-20(17)21/h5-6,9-10,13-15,19,25H,2-4,7-8,11-12,16H2,1H3,(H,24,27).
What are the key properties of 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 379.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 91833355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).