3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide

C20H20N4O5 — CID 90062223

IUPAC3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3cn[nH]c3)n2)cc1OC
InChIInChI=1S/C20H20N4O5/c1-27-16-6-4-12(8-18(16)29-3)20(26)21-11-15(25)14-5-7-17(28-2)19(24-14)13-9-22-23-10-13/h4-10H,11H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyHVYROZBKRKHYDE-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.11
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 90062223) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide
PubChem CID90062223
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3cn[nH]c3)n2)cc1OC
InChIInChI=1S/C20H20N4O5/c1-27-16-6-4-12(8-18(16)29-3)20(26)21-11-15(25)14-5-7-17(28-2)19(24-14)13-9-22-23-10-13/h4-10H,11H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyHVYROZBKRKHYDE-UHFFFAOYSA-N
XLogP2.11
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[6-(2,4-difluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061780
N-[2-[6-[4-fluoro-3-(fluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061507
N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 131981947
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
CID 90062071
N-[2-[6-(2-bromo-7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90062259
N-[2-[6-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90062220
N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061868
4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
CID 159156353
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]butane-1,4-dione
CID 167552594
ethanol;N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 144580179
N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 144580077
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide (CID 90062223) is 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3cn[nH]c3)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The InChIKey is HVYROZBKRKHYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-27-16-6-4-12(8-18(16)29-3)20(26)21-11-15(25)14-5-7-17(28-2)19(24-14)13-9-22-23-10-13/h4-10H,11H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide has a molecular weight of 396.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90062223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).