6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide

C19H25N7O3 — CID 138007274

IUPAC6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC2CCC(NC(=O)c3ccc(N(C)C)nn3)CC2)n1
InChIInChI=1S/C19H25N7O3/c1-12-4-10-16(26(28)29)18(20-12)21-13-5-7-14(8-6-13)22-19(27)15-9-11-17(24-23-15)25(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,20,21)(H,22,27)
InChIKeyBUFVLBGGIHDESJ-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.31
Rot. Bonds6

About 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide (PubChem CID 138007274) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide
PubChem CID138007274
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC2CCC(NC(=O)c3ccc(N(C)C)nn3)CC2)n1
InChIInChI=1S/C19H25N7O3/c1-12-4-10-16(26(28)29)18(20-12)21-13-5-7-14(8-6-13)22-19(27)15-9-11-17(24-23-15)25(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,20,21)(H,22,27)
InChIKeyBUFVLBGGIHDESJ-UHFFFAOYSA-N
XLogP2.31
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide (CID 138007274) is 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide is Cc1ccc([N+](=O)[O-])c(NC2CCC(NC(=O)c3ccc(N(C)C)nn3)CC2)n1.
What is the InChIKey of 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is BUFVLBGGIHDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-12-4-10-16(26(28)29)18(20-12)21-13-5-7-14(8-6-13)22-19(27)15-9-11-17(24-23-15)25(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,20,21)(H,22,27).
What are the key properties of 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 138007274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).