N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C21H22FN3O3 — CID 18192659

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C21H22FN3O3/c1-3-24(14-15-9-11-19(28-2)17(22)13-15)21(27)18-10-12-20(26)25(23-18)16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3
InChIKeyNLCYRJYCGSZWDN-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 18192659) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID18192659
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C21H22FN3O3/c1-3-24(14-15-9-11-19(28-2)17(22)13-15)21(27)18-10-12-20(26)25(23-18)16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3
InChIKeyNLCYRJYCGSZWDN-UHFFFAOYSA-N
XLogP3.37
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18196785
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 52583608
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 18115688
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9462623
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762574
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18115743
N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55906153
3-[(3,4-difluorophenyl)methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 119208049
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 18192659) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NLCYRJYCGSZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-3-24(14-15-9-11-19(28-2)17(22)13-15)21(27)18-10-12-20(26)25(23-18)16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 18192659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).