N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide

C23H25N7O3 — CID 71791847

IUPACN-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCNC(=O)c3ccc(NC(=O)C4CC4)cc3)nn2)n1
InChIInChI=1S/C23H25N7O3/c1-14-13-15(2)30(29-14)20-10-9-19(27-28-20)23(33)25-12-11-24-21(31)16-5-7-18(8-6-16)26-22(32)17-3-4-17/h5-10,13,17H,3-4,11-12H2,1-2H3,(H,24,31)(H,25,33)(H,26,32)
InChIKeyQLWPTYXDJDILBE-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.79
Rot. Bonds8

About N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide

N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71791847) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
PubChem CID71791847
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC NameN-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCNC(=O)c3ccc(NC(=O)C4CC4)cc3)nn2)n1
InChIInChI=1S/C23H25N7O3/c1-14-13-15(2)30(29-14)20-10-9-19(27-28-20)23(33)25-12-11-24-21(31)16-5-7-18(8-6-16)26-22(32)17-3-4-17/h5-10,13,17H,3-4,11-12H2,1-2H3,(H,24,31)(H,25,33)(H,26,32)
InChIKeyQLWPTYXDJDILBE-UHFFFAOYSA-N
XLogP1.79
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.79
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-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114458
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122292433
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122293094
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 90517835

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide (CID 71791847) is N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCCNC(=O)c3ccc(NC(=O)C4CC4)cc3)nn2)n1.
What is the InChIKey of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is QLWPTYXDJDILBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-14-13-15(2)30(29-14)20-10-9-19(27-28-20)23(33)25-12-11-24-21(31)16-5-7-18(8-6-16)26-22(32)17-3-4-17/h5-10,13,17H,3-4,11-12H2,1-2H3,(H,24,31)(H,25,33)(H,26,32).
What are the key properties of N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.79, 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-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71791847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).