6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide

C25H29N5O2 — CID 38447789

IUPAC6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-20-19-23(31)24(27-30(20)22-11-6-3-7-12-22)25(32)26-13-8-14-28-15-17-29(18-16-28)21-9-4-2-5-10-21/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,32)
InChIKeyWFPFDBDZJRLZNM-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.48
Rot. Bonds7

About 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide

6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide (PubChem CID 38447789) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
PubChem CID38447789
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-20-19-23(31)24(27-30(20)22-11-6-3-7-12-22)25(32)26-13-8-14-28-15-17-29(18-16-28)21-9-4-2-5-10-21/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,32)
InChIKeyWFPFDBDZJRLZNM-UHFFFAOYSA-N
XLogP2.48
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 41278411
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
N-[2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17448047

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide (CID 38447789) is 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide?
The InChIKey is WFPFDBDZJRLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-20-19-23(31)24(27-30(20)22-11-6-3-7-12-22)25(32)26-13-8-14-28-15-17-29(18-16-28)21-9-4-2-5-10-21/h2-7,9-12,19H,8,13-18H2,1H3,(H,26,32).
What are the key properties of 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 38447789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).