2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid

C17H18N2O4 — CID 23151222

IUPAC2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
SMILESO=C(CCCOCc1ccccc1)Nc1ncccc1C(=O)O
InChIInChI=1S/C17H18N2O4/c20-15(19-16-14(17(21)22)8-4-10-18-16)9-5-11-23-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2,(H,21,22)(H,18,19,20)
InChIKeyOEOIDYNENJSBKO-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.72
Rot. Bonds8

About 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid

2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid (PubChem CID 23151222) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
PubChem CID23151222
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
SMILESO=C(CCCOCc1ccccc1)Nc1ncccc1C(=O)O
InChIInChI=1S/C17H18N2O4/c20-15(19-16-14(17(21)22)8-4-10-18-16)9-5-11-23-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2,(H,21,22)(H,18,19,20)
InChIKeyOEOIDYNENJSBKO-UHFFFAOYSA-N
XLogP2.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
2-methyl-4-(4-phenylmethoxybutanoylamino)benzoic acid
CID 119240384
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
CID 11678584
2-oxo-5-phenylmethoxypentanal
CID 166844444
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]pyridine-3-carboxylic acid
CID 66695427

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid (CID 23151222) is 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid is O=C(CCCOCc1ccccc1)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid?
The InChIKey is OEOIDYNENJSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15(19-16-14(17(21)22)8-4-10-18-16)9-5-11-23-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid?
2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 23151222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).