[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate

C15H14N2O3 — CID 2995644

IUPAC[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H14N2O3/c1-2-14(18)20-13-7-5-11(6-8-13)15(19)17-12-4-3-9-16-10-12/h3-10H,2H2,1H3,(H,17,19)
InChIKeyLHGPAKFXTWIDRE-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds4

About [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate

[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate (PubChem CID 2995644) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate.

Molecular Properties

Compound Name[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
PubChem CID2995644
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H14N2O3/c1-2-14(18)20-13-7-5-11(6-8-13)15(19)17-12-4-3-9-16-10-12/h3-10H,2H2,1H3,(H,17,19)
InChIKeyLHGPAKFXTWIDRE-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate
CID 86955688
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
5-[(4-propanoyloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 4523280
[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate
CID 2993612
[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate
CID 17341925
[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate
CID 17370703
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate?
The IUPAC name of [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate (CID 2995644) is [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate.
What is the SMILES notation for [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate?
The canonical SMILES for [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate is CCC(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate?
The InChIKey is LHGPAKFXTWIDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-14(18)20-13-7-5-11(6-8-13)15(19)17-12-4-3-9-16-10-12/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate?
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate has a molecular weight of 270.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylcarbamoyl)phenyl] propanoate is sourced from PubChem (CID 2995644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).