2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid

C18H20N2O4 — CID 122056291

IUPAC2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid
SMILESCCOc1ccccc1C(CC)NC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C18H20N2O4/c1-3-14(13-7-5-6-8-16(13)24-4-2)20-17(21)15-11-12(18(22)23)9-10-19-15/h5-11,14H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUKCKUYQMXQLZNL-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.06
Rot. Bonds7

About 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid

2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056291) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122056291
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid
SMILESCCOc1ccccc1C(CC)NC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C18H20N2O4/c1-3-14(13-7-5-6-8-16(13)24-4-2)20-17(21)15-11-12(18(22)23)9-10-19-15/h5-11,14H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUKCKUYQMXQLZNL-UHFFFAOYSA-N
XLogP3.06
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
CID 122055375
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119721382
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid (CID 122056291) is 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid is CCOc1ccccc1C(CC)NC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is UKCKUYQMXQLZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-14(13-7-5-6-8-16(13)24-4-2)20-17(21)15-11-12(18(22)23)9-10-19-15/h5-11,14H,3-4H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid?
2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).