4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide

C23H32N4O2 — CID 109090596

IUPAC4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2ccc(N(CC)CC)cc2)ccn1
InChIInChI=1S/C23H32N4O2/c1-5-15-27(16-6-2)23(29)21-17-18(13-14-24-21)22(28)25-19-9-11-20(12-10-19)26(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,28)
InChIKeyISPWAAGOZXHBHZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.44
Rot. Bonds10

About 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide

4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109090596) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109090596
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2ccc(N(CC)CC)cc2)ccn1
InChIInChI=1S/C23H32N4O2/c1-5-15-27(16-6-2)23(29)21-17-18(13-14-24-21)22(28)25-19-9-11-20(12-10-19)26(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,28)
InChIKeyISPWAAGOZXHBHZ-UHFFFAOYSA-N
XLogP4.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099835
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090577

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (CID 109090596) is 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(=O)Nc2ccc(N(CC)CC)cc2)ccn1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is ISPWAAGOZXHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-15-27(16-6-2)23(29)21-17-18(13-14-24-21)22(28)25-19-9-11-20(12-10-19)26(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,28).
What are the key properties of 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).