5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid

C18H20N2O5 — CID 166299740

IUPAC5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(C)NC(=O)c2cncc(C(=O)O)c2)c(C)c1OC
InChIInChI=1S/C18H20N2O5/c1-10-14(5-6-15(24-3)16(10)25-4)11(2)20-17(21)12-7-13(18(22)23)9-19-8-12/h5-9,11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyGHKPBADPOVSDIC-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.60
Rot. Bonds6

About 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid

5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 166299740) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID166299740
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(C)NC(=O)c2cncc(C(=O)O)c2)c(C)c1OC
InChIInChI=1S/C18H20N2O5/c1-10-14(5-6-15(24-3)16(10)25-4)11(2)20-17(21)12-7-13(18(22)23)9-19-8-12/h5-9,11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyGHKPBADPOVSDIC-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

2-[1-(3,4-dimethoxy-2-methylphenyl)ethylamino]-1,3-oxazole-4-carboxylic acid
CID 167909725
5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 166299740) is 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid is COc1ccc(C(C)NC(=O)c2cncc(C(=O)O)c2)c(C)c1OC.
What is the InChIKey of 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is GHKPBADPOVSDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-10-14(5-6-15(24-3)16(10)25-4)11(2)20-17(21)12-7-13(18(22)23)9-19-8-12/h5-9,11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-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 5-[1-(3,4-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166299740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).