1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide

C24H27N5O3 — CID 60513317

IUPAC1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1=O
InChIInChI=1S/C24H27N5O3/c1-3-4-16-29-22(30)15-14-21(28-29)23(31)25-17(2)18-10-12-20(13-11-18)27-24(32)26-19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3,(H,25,31)(H2,26,27,32)
InChIKeyDHFVMSAGOIAODR-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.18
Rot. Bonds8

About 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide (PubChem CID 60513317) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
PubChem CID60513317
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1=O
InChIInChI=1S/C24H27N5O3/c1-3-4-16-29-22(30)15-14-21(28-29)23(31)25-17(2)18-10-12-20(13-11-18)27-24(32)26-19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3,(H,25,31)(H2,26,27,32)
InChIKeyDHFVMSAGOIAODR-UHFFFAOYSA-N
XLogP4.18
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-6-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazine-3-carboxamide
CID 51197671
1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
CID 78778121
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
2-butylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55963010
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide (CID 60513317) is 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The InChIKey is DHFVMSAGOIAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-3-4-16-29-22(30)15-14-21(28-29)23(31)25-17(2)18-10-12-20(13-11-18)27-24(32)26-19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3,(H,25,31)(H2,26,27,32).
What are the key properties of 1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.18, 8 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-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 60513317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).