N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide

C27H31N5O4 — CID 54291650

IUPACN-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide
SMILESCCC1CC(=O)N(C(Cc2ccccc2)NC(=O)N2C=CN=CC2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H31N5O4/c1-4-20-18-25(33)32(30-26(20)21-10-11-22(35-2)23(17-21)36-3)24(16-19-8-6-5-7-9-19)29-27(34)31-14-12-28-13-15-31/h5-14,17,20,24H,4,15-16,18H2,1-3H3,(H,29,34)
InChIKeyRXXJRYGEFXPLGM-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.80
Rot. Bonds8

About N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide

N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide (PubChem CID 54291650) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide
PubChem CID54291650
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide
SMILESCCC1CC(=O)N(C(Cc2ccccc2)NC(=O)N2C=CN=CC2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H31N5O4/c1-4-20-18-25(33)32(30-26(20)21-10-11-22(35-2)23(17-21)36-3)24(16-19-8-6-5-7-9-19)29-27(34)31-14-12-28-13-15-31/h5-14,17,20,24H,4,15-16,18H2,1-3H3,(H,29,34)
InChIKeyRXXJRYGEFXPLGM-UHFFFAOYSA-N
XLogP3.80
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide?
The IUPAC name of N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide (CID 54291650) is N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide.
What is the SMILES notation for N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide?
The canonical SMILES for N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide is CCC1CC(=O)N(C(Cc2ccccc2)NC(=O)N2C=CN=CC2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide?
The InChIKey is RXXJRYGEFXPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-4-20-18-25(33)32(30-26(20)21-10-11-22(35-2)23(17-21)36-3)24(16-19-8-6-5-7-9-19)29-27(34)31-14-12-28-13-15-31/h5-14,17,20,24H,4,15-16,18H2,1-3H3,(H,29,34).
What are the key properties of N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide?
N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide is sourced from PubChem (CID 54291650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).