[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone

C19H23N3O4S — CID 166329687

IUPAC[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1CCN2C(=O)c1ccc(NCC(O)CS(C)(=O)=O)nc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-3-5-17-16(13)8-9-22(17)19(24)14-6-7-18(20-10-14)21-11-15(23)12-27(2,25)26/h3-7,10,15,23H,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyCBCNBIRVZAKWIZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.41
Rot. Bonds6

About [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone

[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 166329687) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID166329687
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1CCN2C(=O)c1ccc(NCC(O)CS(C)(=O)=O)nc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-3-5-17-16(13)8-9-22(17)19(24)14-6-7-18(20-10-14)21-11-15(23)12-27(2,25)26/h3-7,10,15,23H,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyCBCNBIRVZAKWIZ-UHFFFAOYSA-N
XLogP1.41
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548
[6-[[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 135100948
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-methyl-2,3-dihydroindol-1-yl)methanone
CID 71866904
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822

Frequently Asked Questions

What is the IUPAC name of [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone (CID 166329687) is [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cccc2c1CCN2C(=O)c1ccc(NCC(O)CS(C)(=O)=O)nc1.
What is the InChIKey of [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CBCNBIRVZAKWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-4-3-5-17-16(13)8-9-22(17)19(24)14-6-7-18(20-10-14)21-11-15(23)12-27(2,25)26/h3-7,10,15,23H,8-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone?
[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 389.48 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 166329687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).