N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide

C17H18ClN3O3 — CID 2988519

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1ccccn1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-7-14(8-6-13)24-12-16(22)20-10-3-11-21-17(23)15-4-1-2-9-19-15/h1-2,4-9H,3,10-12H2,(H,20,22)(H,21,23)
InChIKeyNJKJFWUBWQJVOD-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.05
Rot. Bonds8

About N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide (PubChem CID 2988519) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
PubChem CID2988519
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1ccccn1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-7-14(8-6-13)24-12-16(22)20-10-3-11-21-17(23)15-4-1-2-9-19-15/h1-2,4-9H,3,10-12H2,(H,20,22)(H,21,23)
InChIKeyNJKJFWUBWQJVOD-UHFFFAOYSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide 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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
Picafibrate
CID 68773
N-(4-Ethoxyphenyl)picolinamide
CID 904031
N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 2442621
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide (CID 2988519) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide is O=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1ccccn1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
The InChIKey is NJKJFWUBWQJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-5-7-14(8-6-13)24-12-16(22)20-10-3-11-21-17(23)15-4-1-2-9-19-15/h1-2,4-9H,3,10-12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 2988519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).