6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid

C18H20N2O5 — CID 119184993

IUPAC6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1cc(C)c(C(C)NC(=O)c2cccc(C(=O)O)n2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-10-8-15(24-3)16(25-4)9-12(10)11(2)19-17(21)13-6-5-7-14(20-13)18(22)23/h5-9,11H,1-4H3,(H,19,21)(H,22,23)
InChIKeyOJJLVEDGRRADSP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.60
Rot. Bonds6

About 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid

6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119184993) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119184993
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1cc(C)c(C(C)NC(=O)c2cccc(C(=O)O)n2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-10-8-15(24-3)16(25-4)9-12(10)11(2)19-17(21)13-6-5-7-14(20-13)18(22)23/h5-9,11H,1-4H3,(H,19,21)(H,22,23)
InChIKeyOJJLVEDGRRADSP-UHFFFAOYSA-N
XLogP2.60
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
CID 46474012
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51956598

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 119184993) is 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is COc1cc(C)c(C(C)NC(=O)c2cccc(C(=O)O)n2)cc1OC.
What is the InChIKey of 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OJJLVEDGRRADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-10-8-15(24-3)16(25-4)9-12(10)11(2)19-17(21)13-6-5-7-14(20-13)18(22)23/h5-9,11H,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).