N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C21H28N4O2 — CID 53202188

IUPACN-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1=O
InChIInChI=1S/C21H28N4O2/c1-4-10-25-20(26)13-18(14-22-25)24-11-8-17(9-12-24)21(27)23-19-7-5-6-15(2)16(19)3/h5-7,13-14,17H,4,8-12H2,1-3H3,(H,23,27)
InChIKeyMJRCNMMSTLTAPM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.13
Rot. Bonds5

About N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202188) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202188
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1=O
InChIInChI=1S/C21H28N4O2/c1-4-10-25-20(26)13-18(14-22-25)24-11-8-17(9-12-24)21(27)23-19-7-5-6-15(2)16(19)3/h5-7,13-14,17H,4,8-12H2,1-3H3,(H,23,27)
InChIKeyMJRCNMMSTLTAPM-UHFFFAOYSA-N
XLogP3.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.13
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-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202188) is N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is MJRCNMMSTLTAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-10-25-20(26)13-18(14-22-25)24-11-8-17(9-12-24)21(27)23-19-7-5-6-15(2)16(19)3/h5-7,13-14,17H,4,8-12H2,1-3H3,(H,23,27).
What are the key properties of N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.13, 5 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-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).