N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C19H20N4O3S — CID 91913615

IUPACN-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccnc1)C1CN(C(=O)c2cccc3[nH]ccc23)C1
InChIInChI=1S/C19H20N4O3S/c1-27(25,26)23(11-14-4-3-8-20-10-14)15-12-22(13-15)19(24)17-5-2-6-18-16(17)7-9-21-18/h2-10,15,21H,11-13H2,1H3
InChIKeyDIRIGLOBALZCFA-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.85
Rot. Bonds5

About N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 91913615) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID91913615
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccnc1)C1CN(C(=O)c2cccc3[nH]ccc23)C1
InChIInChI=1S/C19H20N4O3S/c1-27(25,26)23(11-14-4-3-8-20-10-14)15-12-22(13-15)19(24)17-5-2-6-18-16(17)7-9-21-18/h2-10,15,21H,11-13H2,1H3
InChIKeyDIRIGLOBALZCFA-UHFFFAOYSA-N
XLogP1.85
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 91903873
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 10277214
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
CID 110194784
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 110203307
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 91913615) is N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1cccnc1)C1CN(C(=O)c2cccc3[nH]ccc23)C1.
What is the InChIKey of N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is DIRIGLOBALZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-27(25,26)23(11-14-4-3-8-20-10-14)15-12-22(13-15)19(24)17-5-2-6-18-16(17)7-9-21-18/h2-10,15,21H,11-13H2,1H3.
What are the key properties of N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91913615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).