N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

C18H18N6O3S — CID 138756257

IUPACN-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)
InChIKeyKUHISBZXQSKCLH-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.12
Rot. Bonds6

About N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (PubChem CID 138756257) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
PubChem CID138756257
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)
InChIKeyKUHISBZXQSKCLH-UHFFFAOYSA-N
XLogP2.12
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.12
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-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
6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415401
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
8-[4-[2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175000
4-(2-ethylsulfonylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 155523996

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (CID 138756257) is N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is KUHISBZXQSKCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23).
What are the key properties of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 138756257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).