6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide

C18H17FN6O3S — CID 175973689

IUPAC6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cccc(F)n2)ccc1C(N)=O
InChIInChI=1S/C18H17FN6O3S/c1-29(27,28)25-13-6-3-2-5-12(13)21-18-11(17(20)26)9-10-16(24-18)23-15-8-4-7-14(19)22-15/h2-10,25H,1H3,(H2,20,26)(H2,21,22,23,24)
InChIKeyKHLQKXHBMFOFQG-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.57
Rot. Bonds7

About 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide

6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide (PubChem CID 175973689) has the molecular formula C18H17FN6O3S and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide
PubChem CID175973689
Molecular FormulaC18H17FN6O3S
Molecular Weight416.44 g/mol
Exact Mass416.11
IUPAC Name6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cccc(F)n2)ccc1C(N)=O
InChIInChI=1S/C18H17FN6O3S/c1-29(27,28)25-13-6-3-2-5-12(13)21-18-11(17(20)26)9-10-16(24-18)23-15-8-4-7-14(19)22-15/h2-10,25H,1H3,(H2,20,26)(H2,21,22,23,24)
InChIKeyKHLQKXHBMFOFQG-UHFFFAOYSA-N
XLogP2.57
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 171399370
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
CID 10428796
ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
CID 104821537
2-(5-amino-2-fluoroanilino)-4-[2-(methylsulfonylmethylamino)anilino]pyrimidine-5-carboxamide
CID 68533950
5-[(6-fluoro-2-pyridinyl)amino]pentanamide
CID 106239975
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
CID 155278636
6-cyclopropyl-2-(2-methylanilino)pyridine-3-carboxamide
CID 162523863
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
CID 115658048

Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide (CID 175973689) is 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide is CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cccc(F)n2)ccc1C(N)=O.
What is the InChIKey of 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide?
The InChIKey is KHLQKXHBMFOFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O3S/c1-29(27,28)25-13-6-3-2-5-12(13)21-18-11(17(20)26)9-10-16(24-18)23-15-8-4-7-14(19)22-15/h2-10,25H,1H3,(H2,20,26)(H2,21,22,23,24).
What are the key properties of 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide?
6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 175973689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).