N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

C27H28N4O4 — CID 10205542

IUPACN-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)c3cccnc3)c2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H28N4O4/c1-4-19-15-25(32)31(30-26(19)20-10-11-23(34-2)24(14-20)35-3)17-18-7-5-9-22(13-18)29-27(33)21-8-6-12-28-16-21/h5-14,16,19H,4,15,17H2,1-3H3,(H,29,33)
InChIKeyLKILMCVXFMVZAL-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.51
Rot. Bonds8

About N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 10205542) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID10205542
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC NameN-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)c3cccnc3)c2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H28N4O4/c1-4-19-15-25(32)31(30-26(19)20-10-11-23(34-2)24(14-20)35-3)17-18-7-5-9-22(13-18)29-27(33)21-8-6-12-28-16-21/h5-14,16,19H,4,15,17H2,1-3H3,(H,29,33)
InChIKeyLKILMCVXFMVZAL-UHFFFAOYSA-N
XLogP4.51
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (CID 10205542) is N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is CCC1CC(=O)N(Cc2cccc(NC(=O)c3cccnc3)c2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is LKILMCVXFMVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-4-19-15-25(32)31(30-26(19)20-10-11-23(34-2)24(14-20)35-3)17-18-7-5-9-22(13-18)29-27(33)21-8-6-12-28-16-21/h5-14,16,19H,4,15,17H2,1-3H3,(H,29,33).
What are the key properties of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10205542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).