6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C13H14ClN5O — CID 161261168

IUPAC6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(C)ccc1C
InChIInChI=1S/C13H14ClN5O/c1-7-4-5-8(2)16-12(7)17-9-6-10(14)18-19-11(9)13(20)15-3/h4-6H,1-3H3,(H,15,20)(H,16,17,18)/i3D3
InChIKeyHSTVXMPCTBCGNC-HPRDVNIFSA-N
MW294.76 g/mol
LogP2.25
Rot. Bonds4

About 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 161261168) has the molecular formula C13H14ClN5O and a molecular weight of 294.76 g/mol. Its IUPAC name is 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID161261168
Molecular FormulaC13H14ClN5O
Molecular Weight294.76 g/mol
Exact Mass294.11
IUPAC Name6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(C)ccc1C
InChIInChI=1S/C13H14ClN5O/c1-7-4-5-8(2)16-12(7)17-9-6-10(14)18-19-11(9)13(20)15-3/h4-6H,1-3H3,(H,15,20)(H,16,17,18)/i3D3
InChIKeyHSTVXMPCTBCGNC-HPRDVNIFSA-N
XLogP2.25
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 161261168) is 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nc(C)ccc1C.
What is the InChIKey of 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is HSTVXMPCTBCGNC-HPRDVNIFSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-7-4-5-8(2)16-12(7)17-9-6-10(14)18-19-11(9)13(20)15-3/h4-6H,1-3H3,(H,15,20)(H,16,17,18)/i3D3.
What are the key properties of 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 161261168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).