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

C23H23N5O — CID 109178717

IUPACN-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)ccn2)cc1
InChIInChI=1S/C23H23N5O/c1-3-28(4-2)20-11-9-19(10-12-20)26-22-15-17(13-14-25-22)23(29)27-21-8-6-5-7-18(21)16-24/h5-15H,3-4H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyOPJTULQUOBUKKX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.80
Rot. Bonds7

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

N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide (PubChem CID 109178717) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
PubChem CID109178717
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)ccn2)cc1
InChIInChI=1S/C23H23N5O/c1-3-28(4-2)20-11-9-19(10-12-20)26-22-15-17(13-14-25-22)23(29)27-21-8-6-5-7-18(21)16-24/h5-15H,3-4H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyOPJTULQUOBUKKX-UHFFFAOYSA-N
XLogP4.80
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178127
2-(2-cyanoanilino)-N-(3,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178950
2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165702
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
2-[[4-[4-(diethylamino)anilino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931745

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide (CID 109178717) is N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)ccn2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide?
The InChIKey is OPJTULQUOBUKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-28(4-2)20-11-9-19(10-12-20)26-22-15-17(13-14-25-22)23(29)27-21-8-6-5-7-18(21)16-24/h5-15H,3-4H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide?
N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109178717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).