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

C18H21N3O4 — CID 39577143

IUPACN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H21N3O4/c1-2-24-15-5-7-16(8-6-15)25-13-17(22)20-10-11-21-18(23)14-4-3-9-19-12-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeySYRKDPWJXJIFLI-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.41
Rot. Bonds9

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

N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 39577143) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID39577143
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H21N3O4/c1-2-24-15-5-7-16(8-6-15)25-13-17(22)20-10-11-21-18(23)14-4-3-9-19-12-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeySYRKDPWJXJIFLI-UHFFFAOYSA-N
XLogP1.41
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.41
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-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648
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-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (CID 39577143) is N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is CCOc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is SYRKDPWJXJIFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-24-15-5-7-16(8-6-15)25-13-17(22)20-10-11-21-18(23)14-4-3-9-19-12-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39577143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).