N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide

C16H18N2O3 — CID 17134093

IUPACN-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
SMILESCCOCCOc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C16H18N2O3/c1-2-20-11-12-21-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyJUHGIIYKGKHMSD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide

N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 17134093) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
PubChem CID17134093
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
SMILESCCOCCOc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C16H18N2O3/c1-2-20-11-12-21-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyJUHGIIYKGKHMSD-UHFFFAOYSA-N
XLogP2.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17130921
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
N-[2-(2-ethoxyethoxy)phenyl]-2-phenylacetamide
CID 17134061
N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17134030
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747
4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide (CID 17134093) is N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide is CCOCCOc1ccccc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is JUHGIIYKGKHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-11-12-21-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide?
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17134093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).