N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide

C23H26N4O — CID 109162272

IUPACN-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)21-13-11-20(12-14-21)26-23(28)18-8-15-22(24-16-18)25-19-9-6-17(3)7-10-19/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyQTPLZLIVDOXJTF-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.23
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109162272) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109162272
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)21-13-11-20(12-14-21)26-23(28)18-8-15-22(24-16-18)25-19-9-6-17(3)7-10-19/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyQTPLZLIVDOXJTF-UHFFFAOYSA-N
XLogP5.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.23
H-Bond Donors ≤ 52
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

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
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide (CID 109162272) is N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is QTPLZLIVDOXJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-27(5-2)21-13-11-20(12-14-21)26-23(28)18-8-15-22(24-16-18)25-19-9-6-17(3)7-10-19/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).