2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid

C15H14N2O4 — CID 63654084

IUPAC2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
SMILESO=C(CCOc1ccccc1)Nc1ncccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c18-13(8-10-21-11-5-2-1-3-6-11)17-14-12(15(19)20)7-4-9-16-14/h1-7,9H,8,10H2,(H,19,20)(H,16,17,18)
InChIKeyKBPSLQTWRRLQTA-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.19
Rot. Bonds6

About 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid

2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid (PubChem CID 63654084) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
PubChem CID63654084
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
SMILESO=C(CCOc1ccccc1)Nc1ncccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c18-13(8-10-21-11-5-2-1-3-6-11)17-14-12(15(19)20)7-4-9-16-14/h1-7,9H,8,10H2,(H,19,20)(H,16,17,18)
InChIKeyKBPSLQTWRRLQTA-UHFFFAOYSA-N
XLogP2.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
CID 23151222
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid
CID 43238191
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
CID 63652519

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid (CID 63654084) is 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid is O=C(CCOc1ccccc1)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid?
The InChIKey is KBPSLQTWRRLQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13(8-10-21-11-5-2-1-3-6-11)17-14-12(15(19)20)7-4-9-16-14/h1-7,9H,8,10H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid?
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63654084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).