N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride

C25H25ClN4O4 — CID 18403713

IUPACN-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4ccncc4)c3)CCC2)cc1OC.Cl
InChIInChI=1S/C25H24N4O4.ClH/c1-32-22-9-8-18(16-23(22)33-2)21-7-4-14-29(28-21)25(31)19-5-3-6-20(15-19)27-24(30)17-10-12-26-13-11-17;/h3,5-6,8-13,15-16H,4,7,14H2,1-2H3,(H,27,30);1H
InChIKeyFQYIREXXTRFLEI-UHFFFAOYSA-N
MW480.95 g/mol
LogP4.41
Rot. Bonds6

About N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride

N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 18403713) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
PubChem CID18403713
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC NameN-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4ccncc4)c3)CCC2)cc1OC.Cl
InChIInChI=1S/C25H24N4O4.ClH/c1-32-22-9-8-18(16-23(22)33-2)21-7-4-14-29(28-21)25(31)19-5-3-6-20(15-19)27-24(30)17-10-12-26-13-11-17;/h3,5-6,8-13,15-16H,4,7,14H2,1-2H3,(H,27,30);1H
InChIKeyFQYIREXXTRFLEI-UHFFFAOYSA-N
XLogP4.41
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide
CID 18403614
N-[4-[[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-nitrobenzamide
CID 23433357
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(3-nitrobenzoyl)amino]benzamide
CID 23433358
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-4-[(4-nitrobenzoyl)amino]benzamide
CID 23433311
N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 18403652
N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
CID 141065680
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
6-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-2,3-dihydroinden-1-one
CID 157287272
(4-chloro-3-fluorophenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71185011

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride (CID 18403713) is N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride is COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4ccncc4)c3)CCC2)cc1OC.Cl.
What is the InChIKey of N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is FQYIREXXTRFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4.ClH/c1-32-22-9-8-18(16-23(22)33-2)21-7-4-14-29(28-21)25(31)19-5-3-6-20(15-19)27-24(30)17-10-12-26-13-11-17;/h3,5-6,8-13,15-16H,4,7,14H2,1-2H3,(H,27,30);1H.
What are the key properties of N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride?
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 480.95 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 18403713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).