N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide

C18H20N2O3S — CID 138024038

IUPACN-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](C)C2
InChIInChI=1S/C18H20N2O3S/c1-11-4-5-13-9-12(2)17(15(13)8-11)20-18(21)14-6-7-16(19-10-14)24(3,22)23/h4-8,10,12,17H,9H2,1-3H3,(H,20,21)/t12-,17+/m1/s1
InChIKeyAIPZVHNXHWGHFF-PXAZEXFGSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds3

About N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide

N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide (PubChem CID 138024038) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide
PubChem CID138024038
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](C)C2
InChIInChI=1S/C18H20N2O3S/c1-11-4-5-13-9-12(2)17(15(13)8-11)20-18(21)14-6-7-16(19-10-14)24(3,22)23/h4-8,10,12,17H,9H2,1-3H3,(H,20,21)/t12-,17+/m1/s1
InChIKeyAIPZVHNXHWGHFF-PXAZEXFGSA-N
XLogP2.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide with MolForge

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Related Compounds

4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 95621563
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 124841753
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]urea
CID 124852589
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 110024706
N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
CID 99782343
N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 99821232

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide (CID 138024038) is N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide is Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](C)C2.
What is the InChIKey of N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide?
The InChIKey is AIPZVHNXHWGHFF-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-4-5-13-9-12(2)17(15(13)8-11)20-18(21)14-6-7-16(19-10-14)24(3,22)23/h4-8,10,12,17H,9H2,1-3H3,(H,20,21)/t12-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide?
N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 138024038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).