1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide

C22H23N5O3 — CID 55515060

IUPAC1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1=O
InChIInChI=1S/C22H23N5O3/c1-2-3-14-27-20(28)13-12-19(26-27)21(29)23-17-10-7-11-18(15-17)25-22(30)24-16-8-5-4-6-9-16/h4-13,15H,2-3,14H2,1H3,(H,23,29)(H2,24,25,30)
InChIKeyBMFZXVJTKGTJDG-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.94
Rot. Bonds7

About 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide (PubChem CID 55515060) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
PubChem CID55515060
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1=O
InChIInChI=1S/C22H23N5O3/c1-2-3-14-27-20(28)13-12-19(26-27)21(29)23-17-10-7-11-18(15-17)25-22(30)24-16-8-5-4-6-9-16/h4-13,15H,2-3,14H2,1H3,(H,23,29)(H2,24,25,30)
InChIKeyBMFZXVJTKGTJDG-UHFFFAOYSA-N
XLogP3.94
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
CID 55342870
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide (CID 55515060) is 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
The InChIKey is BMFZXVJTKGTJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-2-3-14-27-20(28)13-12-19(26-27)21(29)23-17-10-7-11-18(15-17)25-22(30)24-16-8-5-4-6-9-16/h4-13,15H,2-3,14H2,1H3,(H,23,29)(H2,24,25,30).
What are the key properties of 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55515060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).