2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile

C19H17N3OS — CID 42987054

IUPAC2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SC(C)C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H17N3OS/c1-11-8-12(2)22-19(15(11)9-20)24-13(3)18(23)16-10-21-17-7-5-4-6-14(16)17/h4-8,10,13,21H,1-3H3
InChIKeyOSQYDMPXVDKTPI-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.41
Rot. Bonds4

About 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile

2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 42987054) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
PubChem CID42987054
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SC(C)C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H17N3OS/c1-11-8-12(2)22-19(15(11)9-20)24-13(3)18(23)16-10-21-17-7-5-4-6-14(16)17/h4-8,10,13,21H,1-3H3
InChIKeyOSQYDMPXVDKTPI-UHFFFAOYSA-N
XLogP4.41
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 5175428
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 51209606
(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 8010233
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7964667
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46624921
(2R)-1-(1H-indol-3-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7814867
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 8723559
N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
CID 51236112
(2R)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7877799
1-(1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 42888242
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 42981996
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-cyclopropylpropanamide
CID 40552290

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CID 42987054) is 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SC(C)C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OSQYDMPXVDKTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-11-8-12(2)22-19(15(11)9-20)24-13(3)18(23)16-10-21-17-7-5-4-6-14(16)17/h4-8,10,13,21H,1-3H3.
What are the key properties of 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 335.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 42987054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).