6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide

C19H18FN5O3S — CID 155517004

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)/i1D3
InChIKeySYYQNYIBIFOCPS-FIBGUPNXSA-N
MW418.47 g/mol
LogP2.87
Rot. Bonds7

About 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide

6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 155517004) has the molecular formula C19H18FN5O3S and a molecular weight of 418.47 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID155517004
Molecular FormulaC19H18FN5O3S
Molecular Weight418.47 g/mol
Exact Mass418.13
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)/i1D3
InChIKeySYYQNYIBIFOCPS-FIBGUPNXSA-N
XLogP2.87
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 155517004) is 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is SYYQNYIBIFOCPS-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)/i1D3.
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155517004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).