N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C30H30N4O2 — CID 108737815

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)n[nH]c3=O)cc2)CC1
InChIInChI=1S/C30H30N4O2/c1-21-16-18-34(19-17-21)20-22-12-14-25(15-13-22)31-29(35)27-26(23-8-4-2-5-9-23)28(32-33-30(27)36)24-10-6-3-7-11-24/h2-15,21H,16-20H2,1H3,(H,31,35)(H,33,36)
InChIKeyRHDQOQCMXLBSIF-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.59
Rot. Bonds6

About N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108737815) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108737815
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)n[nH]c3=O)cc2)CC1
InChIInChI=1S/C30H30N4O2/c1-21-16-18-34(19-17-21)20-22-12-14-25(15-13-22)31-29(35)27-26(23-8-4-2-5-9-23)28(32-33-30(27)36)24-10-6-3-7-11-24/h2-15,21H,16-20H2,1H3,(H,31,35)(H,33,36)
InChIKeyRHDQOQCMXLBSIF-UHFFFAOYSA-N
XLogP5.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide with MolForge

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Related Compounds

6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
CID 16832284
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
CID 108790984
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 25127999
5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 25127667
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108737815) is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is CC1CCN(Cc2ccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)n[nH]c3=O)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is RHDQOQCMXLBSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-21-16-18-34(19-17-21)20-22-12-14-25(15-13-22)31-29(35)27-26(23-8-4-2-5-9-23)28(32-33-30(27)36)24-10-6-3-7-11-24/h2-15,21H,16-20H2,1H3,(H,31,35)(H,33,36).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).