6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C19H23N9O3 — CID 162647964

IUPAC6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)NCC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C19H23N9O3/c1-5-21-19(30)24-14-9-13(15(26-25-14)18(29)20-2)23-12-8-6-7-11(16(12)31-4)17-22-10-28(3)27-17/h6-10H,5H2,1-4H3,(H,20,29)(H3,21,23,24,25,30)/i2D3
InChIKeyQFZMFKDDUVUIIJ-BMSJAHLVSA-N
MW428.47 g/mol
LogP1.53
Rot. Bonds8

About 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 162647964) has the molecular formula C19H23N9O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID162647964
Molecular FormulaC19H23N9O3
Molecular Weight428.47 g/mol
Exact Mass428.21
IUPAC Name6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)NCC)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C19H23N9O3/c1-5-21-19(30)24-14-9-13(15(26-25-14)18(29)20-2)23-12-8-6-7-11(16(12)31-4)17-22-10-28(3)27-17/h6-10H,5H2,1-4H3,(H,20,29)(H3,21,23,24,25,30)/i2D3
InChIKeyQFZMFKDDUVUIIJ-BMSJAHLVSA-N
XLogP1.53
TPSA147.98 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 162647964) is 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)NCC)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is QFZMFKDDUVUIIJ-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H23N9O3/c1-5-21-19(30)24-14-9-13(15(26-25-14)18(29)20-2)23-12-8-6-7-11(16(12)31-4)17-22-10-28(3)27-17/h6-10H,5H2,1-4H3,(H,20,29)(H3,21,23,24,25,30)/i2D3.
What are the key properties of 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 162647964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).