N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C19H24N4O2 — CID 53202109

IUPACN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)c1C
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-17(14(13)2)21-19(25)15-7-9-23(10-8-15)16-11-18(24)22(3)20-12-16/h4-6,11-12,15H,7-10H2,1-3H3,(H,21,25)
InChIKeyOXVHKGHDENLSHE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202109) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202109
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)c1C
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-17(14(13)2)21-19(25)15-7-9-23(10-8-15)16-11-18(24)22(3)20-12-16/h4-6,11-12,15H,7-10H2,1-3H3,(H,21,25)
InChIKeyOXVHKGHDENLSHE-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
CID 131953422
2,4-Dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 155818523
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 4826948
N-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
CID 25209050
4-N,4-N-diethyl-1-N-[3-[[3-(2-ethylanilino)-6-oxopyridazin-1-yl]methyl]phenyl]piperidine-1,4-dicarboxamide
CID 72196532
2-Methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-4-pentylpyridazin-3-one
CID 156010114
2-Methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-4-propan-2-ylpyridazin-3-one
CID 156010137
BRD7/9 inhibitor GSK6776
CID 156013241
4-[(Z)-but-2-enyl]-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156013790
4-But-3-enyl-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156014368
4-Ethyl-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156014580
2-Methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-4-prop-2-enylpyridazin-3-one
CID 156016978

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202109) is N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is OXVHKGHDENLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-4-6-17(14(13)2)21-19(25)15-7-9-23(10-8-15)16-11-18(24)22(3)20-12-16/h4-6,11-12,15H,7-10H2,1-3H3,(H,21,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).