N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C24H28N4O — CID 109232722

IUPACN-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)23-12-10-21(11-13-23)27-24(29)20-14-22(17-25-16-20)26-15-19-8-6-18(3)7-9-19/h6-14,16-17,26H,4-5,15H2,1-3H3,(H,27,29)
InChIKeyXFGHUJGAASMYRQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.10
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232722) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232722
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)23-12-10-21(11-13-23)27-24(29)20-14-22(17-25-16-20)26-15-19-8-6-18(3)7-9-19/h6-14,16-17,26H,4-5,15H2,1-3H3,(H,27,29)
InChIKeyXFGHUJGAASMYRQ-UHFFFAOYSA-N
XLogP5.10
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.10
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

5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235764
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232722) is N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is XFGHUJGAASMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-28(5-2)23-12-10-21(11-13-23)27-24(29)20-14-22(17-25-16-20)26-15-19-8-6-18(3)7-9-19/h6-14,16-17,26H,4-5,15H2,1-3H3,(H,27,29).
What are the key properties of N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).