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

C23H26N4O — CID 109188091

IUPAC5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H26N4O/c1-3-27(4-2)21-13-10-19(11-14-21)26-23(28)22-15-12-20(17-25-22)24-16-18-8-6-5-7-9-18/h5-15,17,24H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyIVMMRLWEMPOMLB-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.79
Rot. Bonds8

About 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide

5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109188091) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109188091
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H26N4O/c1-3-27(4-2)21-13-10-19(11-14-21)26-23(28)22-15-12-20(17-25-22)24-16-18-8-6-5-7-9-18/h5-15,17,24H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyIVMMRLWEMPOMLB-UHFFFAOYSA-N
XLogP4.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.79
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-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (CID 109188091) is 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1.
What is the InChIKey of 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is IVMMRLWEMPOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-27(4-2)21-13-10-19(11-14-21)26-23(28)22-15-12-20(17-25-22)24-16-18-8-6-5-7-9-18/h5-15,17,24H,3-4,16H2,1-2H3,(H,26,28).
What are the key properties of 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).