4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid

C17H17N3O5 — CID 39194101

IUPAC4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC(=O)O)cn2)cc1
InChIInChI=1S/C17H17N3O5/c1-11(21)19-12-2-5-14(6-3-12)25-16-8-4-13(10-18-16)20-15(22)7-9-17(23)24/h2-6,8,10H,7,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyTWABYWLCHMUQGT-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.64
Rot. Bonds7

About 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid

4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 39194101) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID39194101
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC(=O)O)cn2)cc1
InChIInChI=1S/C17H17N3O5/c1-11(21)19-12-2-5-14(6-3-12)25-16-8-4-13(10-18-16)20-15(22)7-9-17(23)24/h2-6,8,10H,7,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyTWABYWLCHMUQGT-UHFFFAOYSA-N
XLogP2.64
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194109
4-[[6-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194121
4-[[6-(2-ethoxyphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194137
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
(5-acetamido-2-pyridinyl) hydrogen carbonate
CID 91622867
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
CID 2814195
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid (CID 39194101) is 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid is CC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC(=O)O)cn2)cc1.
What is the InChIKey of 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is TWABYWLCHMUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11(21)19-12-2-5-14(6-3-12)25-16-8-4-13(10-18-16)20-15(22)7-9-17(23)24/h2-6,8,10H,7,9H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid?
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 343.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 39194101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).