1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide

C19H25N5O3 — CID 38166467

IUPAC1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)ccc1=O
InChIInChI=1S/C19H25N5O3/c1-4-5-12-24-17(25)11-10-16(23-24)18(26)21-14-6-8-15(9-7-14)22-19(27)20-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,26)(H2,20,22,27)
InChIKeyUTCHWCLVRAGDGU-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.83
Rot. Bonds7

About 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide (PubChem CID 38166467) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
PubChem CID38166467
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)ccc1=O
InChIInChI=1S/C19H25N5O3/c1-4-5-12-24-17(25)11-10-16(23-24)18(26)21-14-6-8-15(9-7-14)22-19(27)20-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,26)(H2,20,22,27)
InChIKeyUTCHWCLVRAGDGU-UHFFFAOYSA-N
XLogP2.83
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide (CID 38166467) is 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
The InChIKey is UTCHWCLVRAGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-5-12-24-17(25)11-10-16(23-24)18(26)21-14-6-8-15(9-7-14)22-19(27)20-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,26)(H2,20,22,27).
What are the key properties of 1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.83, 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-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 38166467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).