3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide

C21H24N4O2 — CID 122558606

IUPAC3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
SMILESCCCn1ccnc1CNC(=O)c1cccc(-c2cc(C)c(C)[nH]c2=O)c1
InChIInChI=1S/C21H24N4O2/c1-4-9-25-10-8-22-19(25)13-23-20(26)17-7-5-6-16(12-17)18-11-14(2)15(3)24-21(18)27/h5-8,10-12H,4,9,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyCEZHQNNZMQPUHG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.20
Rot. Bonds6

About 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide

3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide (PubChem CID 122558606) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
PubChem CID122558606
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
SMILESCCCn1ccnc1CNC(=O)c1cccc(-c2cc(C)c(C)[nH]c2=O)c1
InChIInChI=1S/C21H24N4O2/c1-4-9-25-10-8-22-19(25)13-23-20(26)17-7-5-6-16(12-17)18-11-14(2)15(3)24-21(18)27/h5-8,10-12H,4,9,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyCEZHQNNZMQPUHG-UHFFFAOYSA-N
XLogP3.20
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 118769642
3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 125438528
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91759660
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-2-imidazol-1-ylpropyl]benzamide
CID 125436426
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459
2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
CID 155912996
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-[(1-propylimidazol-2-yl)methyl]benzimidazole-5-carboxamide
CID 72906682
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide
CID 122571299
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
(2R)-2-(4-methylpyrazol-1-yl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 125444459

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide (CID 122558606) is 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide is CCCn1ccnc1CNC(=O)c1cccc(-c2cc(C)c(C)[nH]c2=O)c1.
What is the InChIKey of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
The InChIKey is CEZHQNNZMQPUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-9-25-10-8-22-19(25)13-23-20(26)17-7-5-6-16(12-17)18-11-14(2)15(3)24-21(18)27/h5-8,10-12H,4,9,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 122558606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).