N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide

C25H28N4O3 — CID 141065647

IUPACN-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccc[nH]4)cc3)CCC2)cc1OC
InChIInChI=1S/C25H28N4O3/c1-31-23-12-9-19(17-24(23)32-2)21-6-4-15-29(28-21)16-13-18-7-10-20(11-8-18)27-25(30)22-5-3-14-26-22/h3,5,7-12,14,17,26H,4,6,13,15-16H2,1-2H3,(H,27,30)
InChIKeyMXXCNCSIIBQXTN-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.33
Rot. Bonds8

About N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide

N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 141065647) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID141065647
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccc[nH]4)cc3)CCC2)cc1OC
InChIInChI=1S/C25H28N4O3/c1-31-23-12-9-19(17-24(23)32-2)21-6-4-15-29(28-21)16-13-18-7-10-20(11-8-18)27-25(30)22-5-3-14-26-22/h3,5,7-12,14,17,26H,4,6,13,15-16H2,1-2H3,(H,27,30)
InChIKeyMXXCNCSIIBQXTN-UHFFFAOYSA-N
XLogP4.33
TPSA78.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
CID 141065667
N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
CID 141065680
N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide
CID 141065608
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299730
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 54305880
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 54176992
N-[4-[2-[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]ethyl]phenyl]acetamide
CID 19358046
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide (CID 141065647) is N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide is COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccc[nH]4)cc3)CCC2)cc1OC.
What is the InChIKey of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MXXCNCSIIBQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-23-12-9-19(17-24(23)32-2)21-6-4-15-29(28-21)16-13-18-7-10-20(11-8-18)27-25(30)22-5-3-14-26-22/h3,5,7-12,14,17,26H,4,6,13,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide?
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141065647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).