N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

C19H24N6O3S — CID 166918398

IUPACN-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)n2)c(C2=NN(C)C(C)CC2)cn1
InChIInChI=1S/C19H24N6O3S/c1-12-8-9-15(24-25(12)3)14-11-20-18(21-13(2)26)10-16(14)22-17-6-5-7-19(23-17)29(4,27)28/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22,23,26)
InChIKeyJEFJDFMVTMBIJC-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.40
Rot. Bonds5

About N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (PubChem CID 166918398) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
PubChem CID166918398
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC NameN-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)n2)c(C2=NN(C)C(C)CC2)cn1
InChIInChI=1S/C19H24N6O3S/c1-12-8-9-15(24-25(12)3)14-11-20-18(21-13(2)26)10-16(14)22-17-6-5-7-19(23-17)29(4,27)28/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22,23,26)
InChIKeyJEFJDFMVTMBIJC-UHFFFAOYSA-N
XLogP2.40
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (CID 166918398) is N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)n2)c(C2=NN(C)C(C)CC2)cn1.
What is the InChIKey of N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The InChIKey is JEFJDFMVTMBIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-12-8-9-15(24-25(12)3)14-11-20-18(21-13(2)26)10-16(14)22-17-6-5-7-19(23-17)29(4,27)28/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22,23,26).
What are the key properties of N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).