propyl 4-(pyridine-2-carbonylamino)benzoate

C16H16N2O3 — CID 17353106

IUPACpropyl 4-(pyridine-2-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-11-21-16(20)12-6-8-13(9-7-12)18-15(19)14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyKUMBAJRELRAAHZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.90
Rot. Bonds5

About propyl 4-(pyridine-2-carbonylamino)benzoate

propyl 4-(pyridine-2-carbonylamino)benzoate (PubChem CID 17353106) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is propyl 4-(pyridine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(pyridine-2-carbonylamino)benzoate
PubChem CID17353106
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namepropyl 4-(pyridine-2-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-11-21-16(20)12-6-8-13(9-7-12)18-15(19)14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyKUMBAJRELRAAHZ-UHFFFAOYSA-N
XLogP2.90
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-(pyridine-2-carbonylamino)benzoate 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

propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 55755392
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
CID 24677548
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 36744455

Frequently Asked Questions

What is the IUPAC name of propyl 4-(pyridine-2-carbonylamino)benzoate?
The IUPAC name of propyl 4-(pyridine-2-carbonylamino)benzoate (CID 17353106) is propyl 4-(pyridine-2-carbonylamino)benzoate.
What is the SMILES notation for propyl 4-(pyridine-2-carbonylamino)benzoate?
The canonical SMILES for propyl 4-(pyridine-2-carbonylamino)benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of propyl 4-(pyridine-2-carbonylamino)benzoate?
The InChIKey is KUMBAJRELRAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-11-21-16(20)12-6-8-13(9-7-12)18-15(19)14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of propyl 4-(pyridine-2-carbonylamino)benzoate?
propyl 4-(pyridine-2-carbonylamino)benzoate has a molecular weight of 284.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(pyridine-2-carbonylamino)benzoate is sourced from PubChem (CID 17353106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).