6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C22H19N7O5 — CID 91588032

IUPAC6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2=O)nn1
InChIInChI=1S/C22H19N7O5/c30-20(24-14-15-6-3-4-11-23-15)17-9-10-19(26-25-17)27-12-5-13-28(22(27)32)21(31)16-7-1-2-8-18(16)29(33)34/h1-4,6-11H,5,12-14H2,(H,24,30)
InChIKeyLWFJFPCHMAEFOZ-UHFFFAOYSA-N
MW461.44 g/mol
LogP2.18
Rot. Bonds6

About 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 91588032) has the molecular formula C22H19N7O5 and a molecular weight of 461.44 g/mol. Its IUPAC name is 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID91588032
Molecular FormulaC22H19N7O5
Molecular Weight461.44 g/mol
Exact Mass461.14
IUPAC Name6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2=O)nn1
InChIInChI=1S/C22H19N7O5/c30-20(24-14-15-6-3-4-11-23-15)17-9-10-19(26-25-17)27-12-5-13-28(22(27)32)21(31)16-7-1-2-8-18(16)29(33)34/h1-4,6-11H,5,12-14H2,(H,24,30)
InChIKeyLWFJFPCHMAEFOZ-UHFFFAOYSA-N
XLogP2.18
TPSA151.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
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'}

Analyze 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
4-(azepan-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 15994983
2-nitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352192
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
4-chloro-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 4626775
N-(4,6-dimethylheptan-2-yl)-6-[3-(2-nitrobenzoyl)-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 91604841
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 91588032) is 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2=O)nn1.
What is the InChIKey of 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is LWFJFPCHMAEFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O5/c30-20(24-14-15-6-3-4-11-23-15)17-9-10-19(26-25-17)27-12-5-13-28(22(27)32)21(31)16-7-1-2-8-18(16)29(33)34/h1-4,6-11H,5,12-14H2,(H,24,30).
What are the key properties of 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 91588032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).