5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide

C19H20N4O3 — CID 74235393

IUPAC5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N(C)C(C)c2cc(-c3ccccc3)n[nH]2)cc1=O
InChIInChI=1S/C19H20N4O3/c1-12(14-9-15(22-21-14)13-7-5-4-6-8-13)23(2)19(25)16-10-17(24)18(26-3)11-20-16/h4-12H,1-3H3,(H,20,24)(H,21,22)
InChIKeyKQMCOWPDKHMBBG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.61
Rot. Bonds5

About 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide

5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide (PubChem CID 74235393) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
PubChem CID74235393
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N(C)C(C)c2cc(-c3ccccc3)n[nH]2)cc1=O
InChIInChI=1S/C19H20N4O3/c1-12(14-9-15(22-21-14)13-7-5-4-6-8-13)23(2)19(25)16-10-17(24)18(26-3)11-20-16/h4-12H,1-3H3,(H,20,24)(H,21,22)
InChIKeyKQMCOWPDKHMBBG-UHFFFAOYSA-N
XLogP2.61
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
CID 126433353
N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131902441
3-(3-methoxy-2,2-dimethylpropyl)-1-methyl-1-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]urea
CID 125446420
N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97446078
2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
CID 105469690
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
CID 125430948
2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 26339421
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70719081
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-1-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]urea
CID 126429865

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide (CID 74235393) is 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)N(C)C(C)c2cc(-c3ccccc3)n[nH]2)cc1=O.
What is the InChIKey of 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
The InChIKey is KQMCOWPDKHMBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(14-9-15(22-21-14)13-7-5-4-6-8-13)23(2)19(25)16-10-17(24)18(26-3)11-20-16/h4-12H,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 74235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).