N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

C22H23N7O3 — CID 121114458

IUPACN-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)nn1
InChIInChI=1S/C22H23N7O3/c1-14-23-12-13-29(14)19-9-8-18(27-28-19)22(32)25-11-10-24-20(30)15-4-6-17(7-5-15)26-21(31)16-2-3-16/h4-9,12-13,16H,2-3,10-11H2,1H3,(H,24,30)(H,25,32)(H,26,31)
InChIKeyDEWOZEMGAZTNDP-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.48
Rot. Bonds8

About N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (PubChem CID 121114458) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
PubChem CID121114458
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC NameN-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)nn1
InChIInChI=1S/C22H23N7O3/c1-14-23-12-13-29(14)19-9-8-18(27-28-19)22(32)25-11-10-24-20(30)15-4-6-17(7-5-15)26-21(31)16-2-3-16/h4-9,12-13,16H,2-3,10-11H2,1H3,(H,24,30)(H,25,32)(H,26,31)
InChIKeyDEWOZEMGAZTNDP-UHFFFAOYSA-N
XLogP1.48
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
CID 71791847
N-[2-(diethylamino)ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114224
6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
CID 121114381
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103838
4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217132
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (CID 121114458) is N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)nn1.
What is the InChIKey of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is DEWOZEMGAZTNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-14-23-12-13-29(14)19-9-8-18(27-28-19)22(32)25-11-10-24-20(30)15-4-6-17(7-5-15)26-21(31)16-2-3-16/h4-9,12-13,16H,2-3,10-11H2,1H3,(H,24,30)(H,25,32)(H,26,31).
What are the key properties of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121114458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).