2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

C23H32N4O2 — CID 109099835

IUPAC2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(N(CC)CC)cc2)n1
InChIInChI=1S/C23H32N4O2/c1-5-16-27(17-6-2)23(29)21-11-9-10-20(25-21)22(28)24-18-12-14-19(15-13-18)26(7-3)8-4/h9-15H,5-8,16-17H2,1-4H3,(H,24,28)
InChIKeyQARTZNNMRWYXMO-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.44
Rot. Bonds10

About 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (PubChem CID 109099835) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
PubChem CID109099835
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(N(CC)CC)cc2)n1
InChIInChI=1S/C23H32N4O2/c1-5-16-27(17-6-2)23(29)21-11-9-10-20(25-21)22(28)24-18-12-14-19(15-13-18)26(7-3)8-4/h9-15H,5-8,16-17H2,1-4H3,(H,24,28)
InChIKeyQARTZNNMRWYXMO-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-(dimethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099834
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
2-N-[2-(dimethylamino)ethyl]-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109096394
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (CID 109099835) is 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(N(CC)CC)cc2)n1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The InChIKey is QARTZNNMRWYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-16-27(17-6-2)23(29)21-11-9-10-20(25-21)22(28)24-18-12-14-19(15-13-18)26(7-3)8-4/h9-15H,5-8,16-17H2,1-4H3,(H,24,28).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-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 2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).