3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C21H21N3O2 — CID 71867021

IUPAC3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(=O)[nH]1
InChIInChI=1S/C21H21N3O2/c1-13-11-14(2)23-20(25)19(13)21(26)24-9-7-15(8-10-24)17-12-22-18-6-4-3-5-16(17)18/h3-7,11-12,22H,8-10H2,1-2H3,(H,23,25)
InChIKeyILGYWIQMDIZVQR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds2

About 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 71867021) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID71867021
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(=O)[nH]1
InChIInChI=1S/C21H21N3O2/c1-13-11-14(2)23-20(25)19(13)21(26)24-9-7-15(8-10-24)17-12-22-18-6-4-3-5-16(17)18/h3-7,11-12,22H,8-10H2,1-2H3,(H,23,25)
InChIKeyILGYWIQMDIZVQR-UHFFFAOYSA-N
XLogP3.40
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one with MolForge

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Related Compounds

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166245925
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46699903
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71705869
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylphenyl)methanone
CID 39545583
(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
CID 97083905
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086680
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 71867021) is 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(=O)[nH]1.
What is the InChIKey of 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is ILGYWIQMDIZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-11-14(2)23-20(25)19(13)21(26)24-9-7-15(8-10-24)17-12-22-18-6-4-3-5-16(17)18/h3-7,11-12,22H,8-10H2,1-2H3,(H,23,25).
What are the key properties of 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 71867021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).