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

C17H18ClN3O3 — CID 6498630

IUPACN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)COc2ccccc2Cl)cn1
InChIInChI=1S/C17H18ClN3O3/c1-12-6-7-13(10-21-12)17(23)20-9-8-19-16(22)11-24-15-5-3-2-4-14(15)18/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyOWBYMGZJOWMZDM-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.97
Rot. Bonds7

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

N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498630) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID6498630
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)COc2ccccc2Cl)cn1
InChIInChI=1S/C17H18ClN3O3/c1-12-6-7-13(10-21-12)17(23)20-9-8-19-16(22)11-24-15-5-3-2-4-14(15)18/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyOWBYMGZJOWMZDM-UHFFFAOYSA-N
XLogP1.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Picafibrate
CID 68773
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570
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
N-{2-[2-(4-Methoxy-phenoxy)-acetylamino]-ethyl}-nicotinamide
CID 2991541
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-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide (CID 6498630) is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)COc2ccccc2Cl)cn1.
What is the InChIKey of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is OWBYMGZJOWMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12-6-7-13(10-21-12)17(23)20-9-8-19-16(22)11-24-15-5-3-2-4-14(15)18/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).