N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide

C17H19N3O4 — CID 108539918

IUPACN-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O4/c1-12(24-15-4-2-14(21)3-5-15)16(22)19-10-11-20-17(23)13-6-8-18-9-7-13/h2-9,12,21H,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyZDGHVATVDLXXNW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.10
Rot. Bonds7

About N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide

N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide (PubChem CID 108539918) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
PubChem CID108539918
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O4/c1-12(24-15-4-2-14(21)3-5-15)16(22)19-10-11-20-17(23)13-6-8-18-9-7-13/h2-9,12,21H,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyZDGHVATVDLXXNW-UHFFFAOYSA-N
XLogP1.10
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
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-hydroxyphenoxy)propanoylamino]ethyl]pyridine-2-carboxamide
CID 108539927
2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide
CID 108539863
N-[2-[2-(4-phenylphenoxy)propanoylamino]ethyl]benzamide
CID 46686897
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108539901
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide (CID 108539918) is N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide is CC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide?
The InChIKey is ZDGHVATVDLXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12(24-15-4-2-14(21)3-5-15)16(22)19-10-11-20-17(23)13-6-8-18-9-7-13/h2-9,12,21H,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide?
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108539918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).