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

C18H20N4O3 — CID 109101470

IUPAC3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H20N4O3/c1-11(2)20-17(24)13-7-14(10-19-9-13)18(25)22-16-6-4-5-15(8-16)21-12(3)23/h4-11H,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyAHHFDXOBJUBSHZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.43
Rot. Bonds5

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

3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101470) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101470
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H20N4O3/c1-11(2)20-17(24)13-7-14(10-19-9-13)18(25)22-16-6-4-5-15(8-16)21-12(3)23/h4-11H,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyAHHFDXOBJUBSHZ-UHFFFAOYSA-N
XLogP2.43
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427
N-(3-acetamidophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226946
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101470) is 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is AHHFDXOBJUBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)20-17(24)13-7-14(10-19-9-13)18(25)22-16-6-4-5-15(8-16)21-12(3)23/h4-11H,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).