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

C19H19FN6O3S — CID 75201911

IUPACN-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H19FN6O3S/c1-3-21-19(27)18-14(23-13-6-4-5-7-15(13)30(2,28)29)10-17(25-26-18)24-16-9-8-12(20)11-22-16/h4-11H,3H2,1-2H3,(H,21,27)(H2,22,23,24,25)
InChIKeyNQWUTFSSIFNXBI-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.65
Rot. Bonds7

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

N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide (PubChem CID 75201911) has the molecular formula C19H19FN6O3S and a molecular weight of 430.47 g/mol. Its IUPAC name is N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
PubChem CID75201911
Molecular FormulaC19H19FN6O3S
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC NameN-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H19FN6O3S/c1-3-21-19(27)18-14(23-13-6-4-5-7-15(13)30(2,28)29)10-17(25-26-18)24-16-9-8-12(20)11-22-16/h4-11H,3H2,1-2H3,(H,21,27)(H2,22,23,24,25)
InChIKeyNQWUTFSSIFNXBI-UHFFFAOYSA-N
XLogP2.65
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
CID 138756257
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
Tyk2-IN-7
CID 138911330
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
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155566039
Nomelcitinib
CID 170678247
N-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201718
N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201851
4-(2-ethylsulfonylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 155523996
US11021475, Example 5
CID 75201912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide (CID 75201911) is N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide is CCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The InChIKey is NQWUTFSSIFNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3S/c1-3-21-19(27)18-14(23-13-6-4-5-7-15(13)30(2,28)29)10-17(25-26-18)24-16-9-8-12(20)11-22-16/h4-11H,3H2,1-2H3,(H,21,27)(H2,22,23,24,25).
What are the key properties of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 75201911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).