6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile

C21H19N5O3S — CID 155279486

IUPAC6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C21H19N5O3S/c1-3-18(27)15-13-23-21(26-20-10-6-7-14(12-22)24-20)11-17(15)25-16-8-4-5-9-19(16)30(2,28)29/h4-11,13H,3H2,1-2H3,(H2,23,24,25,26)
InChIKeyDYDDCDYOOSPPHN-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.83
Rot. Bonds7

About 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile

6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile (PubChem CID 155279486) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
PubChem CID155279486
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C21H19N5O3S/c1-3-18(27)15-13-23-21(26-20-10-6-7-14(12-22)24-20)11-17(15)25-16-8-4-5-9-19(16)30(2,28)29/h4-11,13H,3H2,1-2H3,(H2,23,24,25,26)
InChIKeyDYDDCDYOOSPPHN-UHFFFAOYSA-N
XLogP3.83
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile (CID 155279486) is 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile is CCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile?
The InChIKey is DYDDCDYOOSPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-3-18(27)15-13-23-21(26-20-10-6-7-14(12-22)24-20)11-17(15)25-16-8-4-5-9-19(16)30(2,28)29/h4-11,13H,3H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile?
6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile has a molecular weight of 421.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155279486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).