2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide

C22H23N3O4 — CID 55886671

IUPAC2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cccnc3OCC)ccn2)cc1
InChIInChI=1S/C22H23N3O4/c1-3-27-17-7-9-18(10-8-17)29-20-14-16(11-13-23-20)15-25-21(26)19-6-5-12-24-22(19)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyMDXKJZRURDTWET-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.00
Rot. Bonds9

About 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide

2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 55886671) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID55886671
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cccnc3OCC)ccn2)cc1
InChIInChI=1S/C22H23N3O4/c1-3-27-17-7-9-18(10-8-17)29-20-14-16(11-13-23-20)15-25-21(26)19-6-5-12-24-22(19)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyMDXKJZRURDTWET-UHFFFAOYSA-N
XLogP4.00
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55887705
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55945165
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide (CID 55886671) is 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide is CCOc1ccc(Oc2cc(CNC(=O)c3cccnc3OCC)ccn2)cc1.
What is the InChIKey of 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is MDXKJZRURDTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-27-17-7-9-18(10-8-17)29-20-14-16(11-13-23-20)15-25-21(26)19-6-5-12-24-22(19)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,25,26).
What are the key properties of 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide?
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55886671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).