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

C21H25N3O3 — CID 109090588

IUPAC4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C21H25N3O3/c1-4-11-24(12-5-2)21(27)19-14-17(9-10-22-19)20(26)23-18-8-6-7-16(13-18)15(3)25/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,26)
InChIKeyGAOUUYMMKBNAJG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.80
Rot. Bonds8

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

4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109090588) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109090588
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C21H25N3O3/c1-4-11-24(12-5-2)21(27)19-14-17(9-10-22-19)20(26)23-18-8-6-7-16(13-18)15(3)25/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,26)
InChIKeyGAOUUYMMKBNAJG-UHFFFAOYSA-N
XLogP3.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (CID 109090588) is 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccn1.
What is the InChIKey of 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is GAOUUYMMKBNAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-11-24(12-5-2)21(27)19-14-17(9-10-22-19)20(26)23-18-8-6-7-16(13-18)15(3)25/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,26).
What are the key properties of 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).