N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

C19H23N3O4 — CID 108926648

IUPACN-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O4/c1-2-25-16-6-8-17(9-7-16)26-14-18(23)21-11-4-12-22-19(24)15-5-3-10-20-13-15/h3,5-10,13H,2,4,11-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyMWYBUVCOKRYVOP-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.80
Rot. Bonds10

About N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 108926648) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
PubChem CID108926648
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O4/c1-2-25-16-6-8-17(9-7-16)26-14-18(23)21-11-4-12-22-19(24)15-5-3-10-20-13-15/h3,5-10,13H,2,4,11-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyMWYBUVCOKRYVOP-UHFFFAOYSA-N
XLogP1.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-octadecylpyridine-3-carboxamide
CID 3547337
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (CID 108926648) is N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is CCOc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is MWYBUVCOKRYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-25-16-6-8-17(9-7-16)26-14-18(23)21-11-4-12-22-19(24)15-5-3-10-20-13-15/h3,5-10,13H,2,4,11-12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).