N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide

C18H20ClN3O3 — CID 6498662

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H20ClN3O3/c1-13-3-4-14(11-22-13)18(24)21-10-2-9-20-17(23)12-25-16-7-5-15(19)6-8-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyQYMVNKKQTLUYLW-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.36
Rot. Bonds8

About N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498662) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498662
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H20ClN3O3/c1-13-3-4-14(11-22-13)18(24)21-10-2-9-20-17(23)12-25-16-7-5-15(19)6-8-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyQYMVNKKQTLUYLW-UHFFFAOYSA-N
XLogP2.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.36
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]-6-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide (CID 6498662) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is QYMVNKKQTLUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13-3-4-14(11-22-13)18(24)21-10-2-9-20-17(23)12-25-16-7-5-15(19)6-8-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.36, 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]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).