6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C16H16N2O4 — CID 75513273

IUPAC6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCOc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H16N2O4/c1-2-22-12-6-3-5-11(9-12)10-17-15(19)13-7-4-8-14(18-13)16(20)21/h3-9H,2,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyCGEOFFTVTXBBRI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.11
Rot. Bonds6

About 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 75513273) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID75513273
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCOc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H16N2O4/c1-2-22-12-6-3-5-11(9-12)10-17-15(19)13-7-4-8-14(18-13)16(20)21/h3-9H,2,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyCGEOFFTVTXBBRI-UHFFFAOYSA-N
XLogP2.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
N-[(3-ethoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051316
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051043
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 75513273) is 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is CCOc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CGEOFFTVTXBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-22-12-6-3-5-11(9-12)10-17-15(19)13-7-4-8-14(18-13)16(20)21/h3-9H,2,10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 75513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).