6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C19H18ClN7O3 — CID 176909151

IUPAC6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccn(-c2ccc(C(=O)N(C)C)cn2)c1=O
InChIInChI=1S/C19H18ClN7O3/c1-21-17(28)16-13(9-14(20)24-25-16)23-12-5-4-8-27(19(12)30)15-7-6-11(10-22-15)18(29)26(2)3/h4-10H,1-3H3,(H,21,28)(H,23,24)/i1D3
InChIKeyRJSNOPFZJJNRAK-FIBGUPNXSA-N
MW430.87 g/mol
LogP1.48
Rot. Bonds6

About 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 176909151) has the molecular formula C19H18ClN7O3 and a molecular weight of 430.87 g/mol. Its IUPAC name is 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID176909151
Molecular FormulaC19H18ClN7O3
Molecular Weight430.87 g/mol
Exact Mass430.13
IUPAC Name6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccn(-c2ccc(C(=O)N(C)C)cn2)c1=O
InChIInChI=1S/C19H18ClN7O3/c1-21-17(28)16-13(9-14(20)24-25-16)23-12-5-4-8-27(19(12)30)15-7-6-11(10-22-15)18(29)26(2)3/h4-10H,1-3H3,(H,21,28)(H,23,24)/i1D3
InChIKeyRJSNOPFZJJNRAK-FIBGUPNXSA-N
XLogP1.48
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 176909151) is 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccn(-c2ccc(C(=O)N(C)C)cn2)c1=O.
What is the InChIKey of 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is RJSNOPFZJJNRAK-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H18ClN7O3/c1-21-17(28)16-13(9-14(20)24-25-16)23-12-5-4-8-27(19(12)30)15-7-6-11(10-22-15)18(29)26(2)3/h4-10H,1-3H3,(H,21,28)(H,23,24)/i1D3.
What are the key properties of 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 430.87 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 176909151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).