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

C23H25N5O3 — CID 141065608

IUPACN-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cnc[nH]3)CCC2)cc1OC
InChIInChI=1S/C23H25N5O3/c1-30-21-10-9-16(12-22(21)31-2)19-8-5-11-28(27-19)14-17-6-3-4-7-18(17)26-23(29)20-13-24-15-25-20/h3-4,6-7,9-10,12-13,15H,5,8,11,14H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyGVDRDRJCHIHOBU-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.68
Rot. Bonds7

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

N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide (PubChem CID 141065608) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide
PubChem CID141065608
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cnc[nH]3)CCC2)cc1OC
InChIInChI=1S/C23H25N5O3/c1-30-21-10-9-16(12-22(21)31-2)19-8-5-11-28(27-19)14-17-6-3-4-7-18(17)26-23(29)20-13-24-15-25-20/h3-4,6-7,9-10,12-13,15H,5,8,11,14H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyGVDRDRJCHIHOBU-UHFFFAOYSA-N
XLogP3.68
TPSA91.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide
CID 141055171
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 141065647
N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
CID 141065680
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
CID 141065667
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299730
N-[2-[[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54293615
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468364
N-naphthalen-1-yl-1H-imidazole-5-carboxamide
CID 110475305
N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54469571
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide (CID 141065608) is N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide is COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cnc[nH]3)CCC2)cc1OC.
What is the InChIKey of N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is GVDRDRJCHIHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-21-10-9-16(12-22(21)31-2)19-8-5-11-28(27-19)14-17-6-3-4-7-18(17)26-23(29)20-13-24-15-25-20/h3-4,6-7,9-10,12-13,15H,5,8,11,14H2,1-2H3,(H,24,25)(H,26,29).
What are the key properties of N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide?
N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141065608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).