2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide

C22H24N4O — CID 109176141

IUPAC2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-3-26(4-2)20-12-10-19(11-13-20)25-22(27)17-14-15-23-21(16-17)24-18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyCQRHNUFIQFVERU-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.92
Rot. Bonds7

About 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide

2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide (PubChem CID 109176141) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
PubChem CID109176141
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-3-26(4-2)20-12-10-19(11-13-20)25-22(27)17-14-15-23-21(16-17)24-18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyCQRHNUFIQFVERU-UHFFFAOYSA-N
XLogP4.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.92
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

N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
CID 109178717
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165702
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170697
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide (CID 109176141) is 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)c2)cc1.
What is the InChIKey of 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is CQRHNUFIQFVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(4-2)20-12-10-19(11-13-20)25-22(27)17-14-15-23-21(16-17)24-18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide?
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109176141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).