6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C17H19N9O3 — CID 160676484

IUPAC6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(C)=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C17H19N9O3/c1-9(27)21-12-7-11(13(24-23-12)17(28)18-2)22-16-14(29-4)10(5-6-19-16)15-20-8-26(3)25-15/h5-8H,1-4H3,(H,18,28)(H2,19,21,22,23,27)/i2D3
InChIKeyRNPAVNUNUSEGKY-BMSJAHLVSA-N
MW400.42 g/mol
LogP0.74
Rot. Bonds7

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

6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 160676484) has the molecular formula C17H19N9O3 and a molecular weight of 400.42 g/mol. Its IUPAC name is 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID160676484
Molecular FormulaC17H19N9O3
Molecular Weight400.42 g/mol
Exact Mass400.18
IUPAC Name6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(C)=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C17H19N9O3/c1-9(27)21-12-7-11(13(24-23-12)17(28)18-2)22-16-14(29-4)10(5-6-19-16)15-20-8-26(3)25-15/h5-8H,1-4H3,(H,18,28)(H2,19,21,22,23,27)/i2D3
InChIKeyRNPAVNUNUSEGKY-BMSJAHLVSA-N
XLogP0.74
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161095047
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-6-[(6-methoxy-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161336203
6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158595445
6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161345578
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168736606
6-[[ethyl(methyl)carbamoyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822304
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide
CID 162001262
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017
6-[(3-ethenyloxetan-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 154662995
6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
CID 167711350

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 160676484) is 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(C)=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is RNPAVNUNUSEGKY-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H19N9O3/c1-9(27)21-12-7-11(13(24-23-12)17(28)18-2)22-16-14(29-4)10(5-6-19-16)15-20-8-26(3)25-15/h5-8H,1-4H3,(H,18,28)(H2,19,21,22,23,27)/i2D3.
What are the key properties of 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 160676484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).