N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C20H22N4O4S — CID 91903873

IUPACN-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1ccc2cc(C(=O)N3CC(N(Cc4cccnc4)S(C)(=O)=O)C3)[nH]c2c1
InChIInChI=1S/C20H22N4O4S/c1-28-17-6-5-15-8-19(22-18(15)9-17)20(25)23-12-16(13-23)24(29(2,26)27)11-14-4-3-7-21-10-14/h3-10,16,22H,11-13H2,1-2H3
InChIKeyISMBIZBBGNMBLF-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 91903873) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID91903873
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1ccc2cc(C(=O)N3CC(N(Cc4cccnc4)S(C)(=O)=O)C3)[nH]c2c1
InChIInChI=1S/C20H22N4O4S/c1-28-17-6-5-15-8-19(22-18(15)9-17)20(25)23-12-16(13-23)24(29(2,26)27)11-14-4-3-7-21-10-14/h3-10,16,22H,11-13H2,1-2H3
InChIKeyISMBIZBBGNMBLF-UHFFFAOYSA-N
XLogP1.86
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 91913615
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
CID 95145430
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893730
(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416402
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 91903873) is N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is COc1ccc2cc(C(=O)N3CC(N(Cc4cccnc4)S(C)(=O)=O)C3)[nH]c2c1.
What is the InChIKey of N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is ISMBIZBBGNMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-17-6-5-15-8-19(22-18(15)9-17)20(25)23-12-16(13-23)24(29(2,26)27)11-14-4-3-7-21-10-14/h3-10,16,22H,11-13H2,1-2H3.
What are the key properties of N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 414.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91903873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).