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

C19H18FN5O2S — CID 118473556

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)=O
InChIInChI=1S/C19H18FN5O2S/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)28(2)27/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyAKNLBEKZVNZYIS-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.20
Rot. Bonds6

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

6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide (PubChem CID 118473556) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide
PubChem CID118473556
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)=O
InChIInChI=1S/C19H18FN5O2S/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)28(2)27/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyAKNLBEKZVNZYIS-UHFFFAOYSA-N
XLogP3.20
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 118072307
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
CID 138756257
N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10549680
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
N-(aminomethyl)-5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404486
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
Tyk2-IN-7
CID 138911330
4-(2-Carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 154701267
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide (CID 118473556) is 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)=O.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide?
The InChIKey is AKNLBEKZVNZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/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)28(2)27/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfinylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118473556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).