3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C18H21N3O3 — CID 109101457

IUPAC3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H21N3O3/c1-4-24-16-8-6-5-7-15(16)21-18(23)14-9-13(10-19-11-14)17(22)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFEKYZAVHLQJYRY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds6

About 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101457) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101457
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H21N3O3/c1-4-24-16-8-6-5-7-15(16)21-18(23)14-9-13(10-19-11-14)17(22)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFEKYZAVHLQJYRY-UHFFFAOYSA-N
XLogP2.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109243078
5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102453
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073
5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101457) is 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CCOc1ccccc1NC(=O)c1cncc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is FEKYZAVHLQJYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-24-16-8-6-5-7-15(16)21-18(23)14-9-13(10-19-11-14)17(22)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).