N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

C20H24N4O4 — CID 30399981

IUPACN-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C1CCCCC1
InChIInChI=1S/C20H24N4O4/c1-3-22(15-9-5-4-6-10-15)20(26)19-18(25)13-14(2)23(21-19)16-11-7-8-12-17(16)24(27)28/h7-8,11-13,15H,3-6,9-10H2,1-2H3
InChIKeySRWXAXZHJCEMDY-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.24
Rot. Bonds5

About N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 30399981) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID30399981
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C1CCCCC1
InChIInChI=1S/C20H24N4O4/c1-3-22(15-9-5-4-6-10-15)20(26)19-18(25)13-14(2)23(21-19)16-11-7-8-12-17(16)24(27)28/h7-8,11-13,15H,3-6,9-10H2,1-2H3
InChIKeySRWXAXZHJCEMDY-UHFFFAOYSA-N
XLogP3.24
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,6-dimethyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 46628189
N-[(4-cyclohexyloxyphenyl)methyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60614821
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
N-butyl-N-(2-hydroxyethyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 78855799
N,6-dimethyl-N-(4-methylphenyl)-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60622001
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51239867
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one
CID 119434975
N-cyclohexyl-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51210732
N-(4-aminocyclohexyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 119475112
6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 120831378
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 8533427
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridazine-3-carboxamide
CID 7678371

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 30399981) is N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is SRWXAXZHJCEMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-22(15-9-5-4-6-10-15)20(26)19-18(25)13-14(2)23(21-19)16-11-7-8-12-17(16)24(27)28/h7-8,11-13,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30399981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).