4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C19H19N3O3 — CID 86265550

IUPAC4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3cc4ccccc4[nH]3)C2)cc(=O)n1C
InChIInChI=1S/C19H19N3O3/c1-12-7-14(9-18(23)21(12)2)25-15-10-22(11-15)19(24)17-8-13-5-3-4-6-16(13)20-17/h3-9,15,20H,10-11H2,1-2H3
InChIKeyIDQALEANDSGMBH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.08
Rot. Bonds3

About 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265550) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265550
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3cc4ccccc4[nH]3)C2)cc(=O)n1C
InChIInChI=1S/C19H19N3O3/c1-12-7-14(9-18(23)21(12)2)25-15-10-22(11-15)19(24)17-8-13-5-3-4-6-16(13)20-17/h3-9,15,20H,10-11H2,1-2H3
InChIKeyIDQALEANDSGMBH-UHFFFAOYSA-N
XLogP2.08
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265539
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-[1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 117054337
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265550) is 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CN(C(=O)c3cc4ccccc4[nH]3)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is IDQALEANDSGMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-7-14(9-18(23)21(12)2)25-15-10-22(11-15)19(24)17-8-13-5-3-4-6-16(13)20-17/h3-9,15,20H,10-11H2,1-2H3.
What are the key properties of 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).