2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide

C21H26N4O3 — CID 109090505

IUPAC2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C21H26N4O3/c1-4-11-25(12-5-2)21(28)16-9-10-22-19(13-16)20(27)24-18-8-6-7-17(14-18)23-15(3)26/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPYEYXBZTHREMOI-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.55
Rot. Bonds8

About 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide

2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109090505) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109090505
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C21H26N4O3/c1-4-11-25(12-5-2)21(28)16-9-10-22-19(13-16)20(27)24-18-8-6-7-17(14-18)23-15(3)26/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPYEYXBZTHREMOI-UHFFFAOYSA-N
XLogP3.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
2-N-(2-chlorophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090478
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
2-N-(3-chloro-2-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090481
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide (CID 109090505) is 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1ccnc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is PYEYXBZTHREMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-11-25(12-5-2)21(28)16-9-10-22-19(13-16)20(27)24-18-8-6-7-17(14-18)23-15(3)26/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).