6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile

C21H18N6O3S — CID 155279443

IUPAC6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cccnc1Nc1cc(Nc2cccc(C#N)n2)ncc1C(=O)C1CC1
InChIInChI=1S/C21H18N6O3S/c1-31(29,30)17-5-3-9-23-21(17)26-16-10-19(24-12-15(16)20(28)13-7-8-13)27-18-6-2-4-14(11-22)25-18/h2-6,9-10,12-13H,7-8H2,1H3,(H2,23,24,25,26,27)
InChIKeyYXQVAOSUDNVZOB-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.23
Rot. Bonds7

About 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile

6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile (PubChem CID 155279443) has the molecular formula C21H18N6O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile
PubChem CID155279443
Molecular FormulaC21H18N6O3S
Molecular Weight434.48 g/mol
Exact Mass434.12
IUPAC Name6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cccnc1Nc1cc(Nc2cccc(C#N)n2)ncc1C(=O)C1CC1
InChIInChI=1S/C21H18N6O3S/c1-31(29,30)17-5-3-9-23-21(17)26-16-10-19(24-12-15(16)20(28)13-7-8-13)27-18-6-2-4-14(11-22)25-18/h2-6,9-10,12-13H,7-8H2,1H3,(H2,23,24,25,26,27)
InChIKeyYXQVAOSUDNVZOB-UHFFFAOYSA-N
XLogP3.23
TPSA137.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile (CID 155279443) is 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile is CS(=O)(=O)c1cccnc1Nc1cc(Nc2cccc(C#N)n2)ncc1C(=O)C1CC1.
What is the InChIKey of 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The InChIKey is YXQVAOSUDNVZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S/c1-31(29,30)17-5-3-9-23-21(17)26-16-10-19(24-12-15(16)20(28)13-7-8-13)27-18-6-2-4-14(11-22)25-18/h2-6,9-10,12-13H,7-8H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile?
6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile has a molecular weight of 434.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155279443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).