6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide

C26H30N4O2 — CID 46470705

IUPAC6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCCC2C)nn1-c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-19-10-8-9-15-29(19)18-22-12-7-6-11-21(22)17-27-26(32)25-24(31)16-20(2)30(28-25)23-13-4-3-5-14-23/h3-7,11-14,16,19H,8-10,15,17-18H2,1-2H3,(H,27,32)
InChIKeyDYFVKOATIKBQFA-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.85
Rot. Bonds6

About 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide

6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 46470705) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID46470705
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCCC2C)nn1-c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-19-10-8-9-15-29(19)18-22-12-7-6-11-21(22)17-27-26(32)25-24(31)16-20(2)30(28-25)23-13-4-3-5-14-23/h3-7,11-14,16,19H,8-10,15,17-18H2,1-2H3,(H,27,32)
InChIKeyDYFVKOATIKBQFA-UHFFFAOYSA-N
XLogP3.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide with MolForge

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Related Compounds

6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51238820
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
6-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51952202
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide (CID 46470705) is 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCCC2C)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DYFVKOATIKBQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-10-8-9-15-29(19)18-22-12-7-6-11-21(22)17-27-26(32)25-24(31)16-20(2)30(28-25)23-13-4-3-5-14-23/h3-7,11-14,16,19H,8-10,15,17-18H2,1-2H3,(H,27,32).
What are the key properties of 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 46470705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).