6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide

C18H21N3O3 — CID 6498628

IUPAC6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-3-7-16(8-4-13)24-12-17(22)19-9-10-20-18(23)15-6-5-14(2)21-11-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHABFKPVOXBLXQS-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.62
Rot. Bonds7

About 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide

6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 6498628) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID6498628
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-3-7-16(8-4-13)24-12-17(22)19-9-10-20-18(23)15-6-5-14(2)21-11-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHABFKPVOXBLXQS-UHFFFAOYSA-N
XLogP1.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.62
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

4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920
N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
CID 6498671

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (CID 6498628) is 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is HABFKPVOXBLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-3-7-16(8-4-13)24-12-17(22)19-9-10-20-18(23)15-6-5-14(2)21-11-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).