N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide

C23H26N6O4S — CID 155535920

IUPACN-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C23H26N6O4S/c1-24-23(30)17-15-26-22(13-19(17)27-18-5-3-4-6-20(18)34(2,31)32)28-21-8-7-16(14-25-21)29-9-11-33-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,24,30)(H2,25,26,27,28)
InChIKeySLYPRMCRZILHIR-UHFFFAOYSA-N
MW482.57 g/mol
LogP2.56
Rot. Bonds7

About N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide

N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 155535920) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID155535920
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC NameN-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C23H26N6O4S/c1-24-23(30)17-15-26-22(13-19(17)27-18-5-3-4-6-20(18)34(2,31)32)28-21-8-7-16(14-25-21)29-9-11-33-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,24,30)(H2,25,26,27,28)
InChIKeySLYPRMCRZILHIR-UHFFFAOYSA-N
XLogP2.56
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
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
N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10549680
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66609540
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
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
N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 11373909
N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980108
4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 71621001

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 155535920) is N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is SLYPRMCRZILHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-24-23(30)17-15-26-22(13-19(17)27-18-5-3-4-6-20(18)34(2,31)32)28-21-8-7-16(14-25-21)29-9-11-33-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,24,30)(H2,25,26,27,28).
What are the key properties of N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide?
N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 155535920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).