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

C23H26N4O — CID 109176212

IUPACN-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3C)c2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)20-12-10-19(11-13-20)25-23(28)18-14-15-24-22(16-18)26-21-9-7-6-8-17(21)3/h6-16H,4-5H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyPOTSBRILUNENGP-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.23
Rot. Bonds7

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

N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide (PubChem CID 109176212) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
PubChem CID109176212
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3C)c2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)20-12-10-19(11-13-20)25-23(28)18-14-15-24-22(16-18)26-21-9-7-6-8-17(21)3/h6-16H,4-5H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyPOTSBRILUNENGP-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

2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
CID 109178717
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175321
2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165702
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109176595
N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170697
ethyl 4-[[2-(2-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177937
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide (CID 109176212) is N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3C)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide?
The InChIKey is POTSBRILUNENGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-27(5-2)20-12-10-19(11-13-20)25-23(28)18-14-15-24-22(16-18)26-21-9-7-6-8-17(21)3/h6-16H,4-5H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide?
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-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]-2-(2-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).