3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

C18H18N4O2 — CID 118662972

IUPAC3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)NC(C)c2cccc(=O)[nH]2)ccc1-c1cn[nH]c1
InChIInChI=1S/C18H18N4O2/c1-11-8-13(6-7-15(11)14-9-19-20-10-14)18(24)21-12(2)16-4-3-5-17(23)22-16/h3-10,12H,1-2H3,(H,19,20)(H,21,24)(H,22,23)
InChIKeyJIKXBQFIZHCFMI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.56
Rot. Bonds4

About 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662972) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662972
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)NC(C)c2cccc(=O)[nH]2)ccc1-c1cn[nH]c1
InChIInChI=1S/C18H18N4O2/c1-11-8-13(6-7-15(11)14-9-19-20-10-14)18(24)21-12(2)16-4-3-5-17(23)22-16/h3-10,12H,1-2H3,(H,19,20)(H,21,24)(H,22,23)
InChIKeyJIKXBQFIZHCFMI-UHFFFAOYSA-N
XLogP2.56
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
6-(2-aminoethyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982356
6-(3-aminopropyl)-4-bromo-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982488
6-(3-aminopropyl)-4-phenyl-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982612
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
6-(2-aminoethyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443518
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443519
6-(3-aminopropyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443521
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinylbenzo[h]isoquinolin-1(2H)-one
CID 44443536
6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118662972) is 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is Cc1cc(C(=O)NC(C)c2cccc(=O)[nH]2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is JIKXBQFIZHCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-8-13(6-7-15(11)14-9-19-20-10-14)18(24)21-12(2)16-4-3-5-17(23)22-16/h3-10,12H,1-2H3,(H,19,20)(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).