N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide

C24H28N4O — CID 109156408

IUPACN-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)22-14-12-21(13-15-22)26-23-16-11-20(17-25-23)24(29)27(3)18-19-9-7-6-8-10-19/h6-17H,4-5,18H2,1-3H3,(H,25,26)
InChIKeyKMTKPBXYTNPPQD-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.94
Rot. Bonds8

About N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide

N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 109156408) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
PubChem CID109156408
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)22-14-12-21(13-15-22)26-23-16-11-20(17-25-23)24(29)27(3)18-19-9-7-6-8-10-19/h6-17H,4-5,18H2,1-3H3,(H,25,26)
InChIKeyKMTKPBXYTNPPQD-UHFFFAOYSA-N
XLogP4.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
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-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide (CID 109156408) is N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1.
What is the InChIKey of N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is KMTKPBXYTNPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-28(5-2)22-14-12-21(13-15-22)26-23-16-11-20(17-25-23)24(29)27(3)18-19-9-7-6-8-10-19/h6-17H,4-5,18H2,1-3H3,(H,25,26).
What are the key properties of N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide?
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109156408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).