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

C13H18N2O5 — CID 115730064

IUPAC4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCN(CCOC)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H18N2O5/c1-19-7-5-15(6-8-20-2)12(16)10-3-4-14-11(9-10)13(17)18/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyLBPFSGMDBBOZLO-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.51
Rot. Bonds8

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

4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730064) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730064
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCN(CCOC)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H18N2O5/c1-19-7-5-15(6-8-20-2)12(16)10-3-4-14-11(9-10)13(17)18/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyLBPFSGMDBBOZLO-UHFFFAOYSA-N
XLogP0.51
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
CID 119182829
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113263118
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 61452485
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730064) is 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid is COCCN(CCOC)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LBPFSGMDBBOZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-7-5-15(6-8-20-2)12(16)10-3-4-14-11(9-10)13(17)18/h3-4,9H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid?
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).