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

C13H16N2O3 — CID 175762548

IUPAC4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCCOc1ccncc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C13H16N2O3/c1-2-18-12-3-6-14-9-11(12)10-4-7-15(8-5-10)13(16)17/h3-4,6,9H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyVMSXKWQBFJHOJN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.25
Rot. Bonds3

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

4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175762548) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175762548
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCCOc1ccncc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C13H16N2O3/c1-2-18-12-3-6-14-9-11(12)10-4-7-15(8-5-10)13(16)17/h3-4,6,9H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyVMSXKWQBFJHOJN-UHFFFAOYSA-N
XLogP2.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(diaminomethylideneamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 144802146
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69141777
4-[6-(chloromethyl)-5-methoxy-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 166681717
4-[5-(3-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602840
4-[2,3-bis(2-trimethylsilylethoxymethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 160718802
tert-butyl 4-isoquinolin-8-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 21070952
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 133277066
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
4-[5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 71082718

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175762548) is 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is CCOc1ccncc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is VMSXKWQBFJHOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-18-12-3-6-14-9-11(12)10-4-7-15(8-5-10)13(16)17/h3-4,6,9H,2,5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175762548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).