5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid

C22H20N2O5 — CID 22923804

IUPAC5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)c2cnc(C(=O)O)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H20N2O5/c1-2-28-18-10-8-17(9-11-18)24-21(25)16-12-19(20(22(26)27)23-13-16)29-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyUQJKJHFSPIQPRV-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.01
Rot. Bonds8

About 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid

5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 22923804) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
PubChem CID22923804
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)c2cnc(C(=O)O)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H20N2O5/c1-2-28-18-10-8-17(9-11-18)24-21(25)16-12-19(20(22(26)27)23-13-16)29-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyUQJKJHFSPIQPRV-UHFFFAOYSA-N
XLogP4.01
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
CID 102461442
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid (CID 22923804) is 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid is CCOc1ccc(NC(=O)c2cnc(C(=O)O)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is UQJKJHFSPIQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-2-28-18-10-8-17(9-11-18)24-21(25)16-12-19(20(22(26)27)23-13-16)29-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid?
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 392.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 22923804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).