2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C18H18N6O4S — CID 164573495

IUPAC2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2[nH]nc(C#N)c2c1
InChIInChI=1S/C18H18N6O4S/c1-11-6-13-14(9-19)21-22-18(13)15(7-11)29(27,28)24(3)10-16(25)20-12-4-5-23(2)17(26)8-12/h4-8H,10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyXOTGXJFOFSYZBH-UHFFFAOYSA-N
MW414.45 g/mol
LogP0.70
Rot. Bonds5

About 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573495) has the molecular formula C18H18N6O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573495
Molecular FormulaC18H18N6O4S
Molecular Weight414.45 g/mol
Exact Mass414.11
IUPAC Name2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2[nH]nc(C#N)c2c1
InChIInChI=1S/C18H18N6O4S/c1-11-6-13-14(9-19)21-22-18(13)15(7-11)29(27,28)24(3)10-16(25)20-12-4-5-23(2)17(26)8-12/h4-8H,10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyXOTGXJFOFSYZBH-UHFFFAOYSA-N
XLogP0.70
TPSA140.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573793
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-quinolin-7-ylacetamide
CID 171395555
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 167168339
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442855
(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 171442826
2-[(2-cyano-5-methyl-1H-indol-7-yl)sulfonyl-methylamino]-N-[4-(oxetan-3-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide
CID 171442821
2-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 34035829
2-cyano-N,5-dimethyl-N-[(5-methyl-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1H-indole-7-sulfonamide
CID 174175784
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-(3-chloro-4-cyanophenyl)-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38014178
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573495) is 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2[nH]nc(C#N)c2c1.
What is the InChIKey of 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is XOTGXJFOFSYZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S/c1-11-6-13-14(9-19)21-22-18(13)15(7-11)29(27,28)24(3)10-16(25)20-12-4-5-23(2)17(26)8-12/h4-8H,10H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 414.45 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).