1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one

C24H28N4O3 — CID 172657082

IUPAC1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C24H28N4O3/c1-17-6-8-27(9-7-18-14-25-21-5-3-2-4-20(18)21)23(29)22(17)24(30)28-15-19(16-28)26-10-12-31-13-11-26/h2-6,8,14,19,25H,7,9-13,15-16H2,1H3
InChIKeyXBLLYHUMICSTCV-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one

1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one (PubChem CID 172657082) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
PubChem CID172657082
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C24H28N4O3/c1-17-6-8-27(9-7-18-14-25-21-5-3-2-4-20(18)21)23(29)22(17)24(30)28-15-19(16-28)26-10-12-31-13-11-26/h2-6,8,14,19,25H,7,9-13,15-16H2,1H3
InChIKeyXBLLYHUMICSTCV-UHFFFAOYSA-N
XLogP2.04
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172658963
1-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]piperidine-4-carbonitrile
CID 172667155
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
CID 172660787
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
CID 172659463
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
CID 172672931
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411
N-[[4-(hydroxymethyl)phenyl]methyl]-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 175641174
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
N-(cyclopropylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172658576
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725817
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one (CID 172657082) is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one is Cc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CC(N2CCOCC2)C1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one?
The InChIKey is XBLLYHUMICSTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-6-8-27(9-7-18-14-25-21-5-3-2-4-20(18)21)23(29)22(17)24(30)28-15-19(16-28)26-10-12-31-13-11-26/h2-6,8,14,19,25H,7,9-13,15-16H2,1H3.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one?
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 172657082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).