6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide

C20H28N4O — CID 109160758

IUPAC6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)nc1
InChIInChI=1S/C20H28N4O/c1-5-23(6-2)18-12-10-17(11-13-18)22-19-14-9-16(15-21-19)20(25)24(7-3)8-4/h9-15H,5-8H2,1-4H3,(H,21,22)
InChIKeyIGHQXCGIJLGNGT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.15
Rot. Bonds8

About 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide

6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide (PubChem CID 109160758) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
PubChem CID109160758
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)nc1
InChIInChI=1S/C20H28N4O/c1-5-23(6-2)18-12-10-17(11-13-18)22-19-14-9-16(15-21-19)20(25)24(7-3)8-4/h9-15H,5-8H2,1-4H3,(H,21,22)
InChIKeyIGHQXCGIJLGNGT-UHFFFAOYSA-N
XLogP4.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
CID 113020978
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
6-[4-(dimethylamino)anilino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109164676
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide (CID 109160758) is 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)nc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide?
The InChIKey is IGHQXCGIJLGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-23(6-2)18-12-10-17(11-13-18)22-19-14-9-16(15-21-19)20(25)24(7-3)8-4/h9-15H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide?
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109160758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).