4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid

C19H22N2O4 — CID 119182829

IUPAC4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCN(CCCc1ccccc1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-25-13-12-21(11-5-8-15-6-3-2-4-7-15)18(22)16-9-10-20-17(14-16)19(23)24/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,24)
InChIKeyOXLUKSDQPDAVLK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds9

About 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid

4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119182829) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119182829
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCN(CCCc1ccccc1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-25-13-12-21(11-5-8-15-6-3-2-4-7-15)18(22)16-9-10-20-17(14-16)19(23)24/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,24)
InChIKeyOXLUKSDQPDAVLK-UHFFFAOYSA-N
XLogP2.50
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
N-(2-methoxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-N-(3-phenylpropyl)benzamide
CID 60596922
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588
3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896
5-bromo-N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 60608023
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid (CID 119182829) is 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid is COCCN(CCCc1ccccc1)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OXLUKSDQPDAVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-13-12-21(11-5-8-15-6-3-2-4-7-15)18(22)16-9-10-20-17(14-16)19(23)24/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,24).
What are the key properties of 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid?
4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).