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

C19H22ClN3O3 — CID 6498673

IUPACN-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C19H22ClN3O3/c1-13-10-16(6-7-17(13)20)26-12-18(24)21-8-3-9-22-19(25)15-5-4-14(2)23-11-15/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFNIRXGYCIXIAOL-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.67
Rot. Bonds8

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

N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498673) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498673
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C19H22ClN3O3/c1-13-10-16(6-7-17(13)20)26-12-18(24)21-8-3-9-22-19(25)15-5-4-14(2)23-11-15/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFNIRXGYCIXIAOL-UHFFFAOYSA-N
XLogP2.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.67
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-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]nicotinohydrazide
CID 808281
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 1082799
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372
N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
CID 2574091
2-(4-propionylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2595155
Ethyl 2-({[2-(4-chlorophenoxy)-3-pyridyl]carbonyl}amino)acetate
CID 2801062
N-[2-(2-m-Tolyloxy-acetylamino)-ethyl]-isonicotinamide
CID 2985154
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide (CID 6498673) is N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)c(C)c2)cn1.
What is the InChIKey of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FNIRXGYCIXIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-10-16(6-7-17(13)20)26-12-18(24)21-8-3-9-22-19(25)15-5-4-14(2)23-11-15/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.67, 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-chloro-3-methylphenoxy)acetyl]amino]propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).