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

C12H16N2O4 — CID 63651324

IUPAC4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
SMILESCCCOCCC(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-2-6-18-7-4-11(15)14-9-3-5-13-10(8-9)12(16)17/h3,5,8H,2,4,6-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyOORVIBRZMKASEG-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.53
Rot. Bonds7

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

4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid (PubChem CID 63651324) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
PubChem CID63651324
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
SMILESCCCOCCC(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-2-6-18-7-4-11(15)14-9-3-5-13-10(8-9)12(16)17/h3,5,8H,2,4,6-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyOORVIBRZMKASEG-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.53
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

4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
CID 63650013
5-(3-propoxypropanoylamino)benzene-1,3-dicarboxylic acid
CID 62715097
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63650622
2-bromo-5-(3-propoxypropanoylamino)benzoic acid
CID 113281067
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
4-[3-(2-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63651301
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-propoxypropanamide
CID 62715474
N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
CID 55104060
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350

Frequently Asked Questions

What is the IUPAC name of 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid (CID 63651324) is 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid is CCCOCCC(=O)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid?
The InChIKey is OORVIBRZMKASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-6-18-7-4-11(15)14-9-3-5-13-10(8-9)12(16)17/h3,5,8H,2,4,6-7H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid?
4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63651324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).