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

C18H20ClN3O3 — CID 6498661

IUPACN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)COc2ccccc2Cl)cn1
InChIInChI=1S/C18H20ClN3O3/c1-13-7-8-14(11-22-13)18(24)21-10-4-9-20-17(23)12-25-16-6-3-2-5-15(16)19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyRTGGBKCFVNPWEY-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.36
Rot. Bonds8

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

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498661) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498661
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)COc2ccccc2Cl)cn1
InChIInChI=1S/C18H20ClN3O3/c1-13-7-8-14(11-22-13)18(24)21-10-4-9-20-17(23)12-25-16-6-3-2-5-15(16)19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyRTGGBKCFVNPWEY-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'}

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Related Compounds

Picafibrate
CID 68773
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CID 3829743
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
2-(4-propionylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2595155
Ethyl 2-({[2-(4-chlorophenoxy)-3-pyridyl]carbonyl}amino)acetate
CID 2801062
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide (CID 6498661) is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)COc2ccccc2Cl)cn1.
What is the InChIKey of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is RTGGBKCFVNPWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13-7-8-14(11-22-13)18(24)21-10-4-9-20-17(23)12-25-16-6-3-2-5-15(16)19/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[[2-(2-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-(2-chlorophenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).