6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid

C19H21N3O5 — CID 119180474

IUPAC6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C19H21N3O5/c1-3-22(4-2)17(23)12-27-14-8-5-7-13(11-14)20-18(24)15-9-6-10-16(21-15)19(25)26/h5-11H,3-4,12H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyAGIMRVZAJJNLLQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.28
Rot. Bonds8

About 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180474) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119180474
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C19H21N3O5/c1-3-22(4-2)17(23)12-27-14-8-5-7-13(11-14)20-18(24)15-9-6-10-16(21-15)19(25)26/h5-11H,3-4,12H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyAGIMRVZAJJNLLQ-UHFFFAOYSA-N
XLogP2.28
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 86982965
4-[[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]methyl]benzoic acid
CID 122075512
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
CID 117097567
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119180474) is 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid is CCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is AGIMRVZAJJNLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-22(4-2)17(23)12-27-14-8-5-7-13(11-14)20-18(24)15-9-6-10-16(21-15)19(25)26/h5-11H,3-4,12H2,1-2H3,(H,20,24)(H,25,26).
What are the key properties of 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).