6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C24H28N4O — CID 109156084

IUPAC6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)22-13-11-21(12-14-22)27-23-15-10-20(17-25-23)24(29)26-16-19-8-6-18(3)7-9-19/h6-15,17H,4-5,16H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyIIAXFSLBDWIZCP-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.91
Rot. Bonds8

About 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156084) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109156084
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)22-13-11-21(12-14-22)27-23-15-10-20(17-25-23)24(29)26-16-19-8-6-18(3)7-9-19/h6-15,17H,4-5,16H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyIIAXFSLBDWIZCP-UHFFFAOYSA-N
XLogP4.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.91
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]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156091
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 109156084) is 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is IIAXFSLBDWIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-28(5-2)22-13-11-21(12-14-22)27-23-15-10-20(17-25-23)24(29)26-16-19-8-6-18(3)7-9-19/h6-15,17H,4-5,16H2,1-3H3,(H,25,27)(H,26,29).
What are the key properties of 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).