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

C18H21N5O4S — CID 171395587

IUPAC2-[(3,5-dimethyl-2H-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)c2n[nH]c(C)c2c1
InChIInChI=1S/C18H21N5O4S/c1-11-7-14-12(2)20-21-18(14)15(8-11)28(26,27)23(4)10-16(24)19-13-5-6-22(3)17(25)9-13/h5-9H,10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyBFWBUVJMJZHYMU-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.14
Rot. Bonds5

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

2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 171395587) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID171395587
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name2-[(3,5-dimethyl-2H-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)c2n[nH]c(C)c2c1
InChIInChI=1S/C18H21N5O4S/c1-11-7-14-12(2)20-21-18(14)15(8-11)28(26,27)23(4)10-16(24)19-13-5-6-22(3)17(25)9-13/h5-9H,10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyBFWBUVJMJZHYMU-UHFFFAOYSA-N
XLogP1.14
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 171395587) is 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-2H-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)c2n[nH]c(C)c2c1.
What is the InChIKey of 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is BFWBUVJMJZHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11-7-14-12(2)20-21-18(14)15(8-11)28(26,27)23(4)10-16(24)19-13-5-6-22(3)17(25)9-13/h5-9H,10H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 171395587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).