N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

C22H26N4O6 — CID 91817058

IUPACN-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(C)n(CCNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)c(=O)c1
InChIInChI=1S/C22H26N4O6/c1-13-8-15(29-2)11-20(27)26(13)7-6-23-22(28)17-12-16(24-25-17)14-9-18(30-3)21(32-5)19(10-14)31-4/h8-12H,6-7H2,1-5H3,(H,23,28)(H,24,25)
InChIKeyQCDGEUFXRBIIEH-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.01
Rot. Bonds9

About N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 91817058) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID91817058
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(C)n(CCNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)c(=O)c1
InChIInChI=1S/C22H26N4O6/c1-13-8-15(29-2)11-20(27)26(13)7-6-23-22(28)17-12-16(24-25-17)14-9-18(30-3)21(32-5)19(10-14)31-4/h8-12H,6-7H2,1-5H3,(H,23,28)(H,24,25)
InChIKeyQCDGEUFXRBIIEH-UHFFFAOYSA-N
XLogP2.01
TPSA116.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-methoxy-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817029
N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide
CID 91817003
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121116559
2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817021
5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817050
3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121059097
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171617358
N-(4-pyridin-3-yloxybut-2-ynyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90579027
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90549914
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90550190
3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 91817058) is N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cc(C)n(CCNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)c(=O)c1.
What is the InChIKey of N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QCDGEUFXRBIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-13-8-15(29-2)11-20(27)26(13)7-6-23-22(28)17-12-16(24-25-17)14-9-18(30-3)21(32-5)19(10-14)31-4/h8-12H,6-7H2,1-5H3,(H,23,28)(H,24,25).
What are the key properties of N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91817058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).