2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

C18H21N3O3 — CID 109078141

IUPAC2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)cc1
InChIInChI=1S/C18H21N3O3/c1-4-24-15-7-5-14(6-8-15)21-18(23)16-11-13(9-10-19-16)17(22)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKZJQMZQTCAQTEV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds6

About 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109078141) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109078141
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)cc1
InChIInChI=1S/C18H21N3O3/c1-4-24-15-7-5-14(6-8-15)21-18(23)16-11-13(9-10-19-16)17(22)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKZJQMZQTCAQTEV-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

2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092798
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078190
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093012
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109078141) is 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is CCOc1ccc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is KZJQMZQTCAQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-24-15-7-5-14(6-8-15)21-18(23)16-11-13(9-10-19-16)17(22)20-12(2)3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-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 2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).