1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C14H17NO3 — CID 117003201

IUPAC1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCCOc1ccccc1N1CC=C(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c1-2-18-13-6-4-3-5-12(13)15-9-7-11(8-10-15)14(16)17/h3-7H,2,8-10H2,1H3,(H,16,17)
InChIKeyVMIUFMVBDYSTNM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.31
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 117003201) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID117003201
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCCOc1ccccc1N1CC=C(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c1-2-18-13-6-4-3-5-12(13)15-9-7-11(8-10-15)14(16)17/h3-7H,2,8-10H2,1H3,(H,16,17)
InChIKeyVMIUFMVBDYSTNM-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 164929662
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylprop-2-en-1-one
CID 8966496
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
CID 133423334
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003167

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 117003201) is 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is CCOc1ccccc1N1CC=C(C(=O)O)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is VMIUFMVBDYSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-13-6-4-3-5-12(13)15-9-7-11(8-10-15)14(16)17/h3-7H,2,8-10H2,1H3,(H,16,17).
What are the key properties of 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 117003201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).