5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

C24H28N4O — CID 109188225

IUPAC5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)22-13-10-20(11-14-22)27-21-12-15-23(25-17-21)24(29)26-16-19-9-7-6-8-18(19)3/h6-15,17,27H,4-5,16H2,1-3H3,(H,26,29)
InChIKeyLOBXJYZOXNVHHZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.91
Rot. Bonds8

About 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188225) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188225
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)22-13-10-20(11-14-22)27-21-12-15-23(25-17-21)24(29)26-16-19-9-7-6-8-18(19)3/h6-15,17,27H,4-5,16H2,1-3H3,(H,26,29)
InChIKeyLOBXJYZOXNVHHZ-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

5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188238
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109189878
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188308

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188225) is 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nc2)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is LOBXJYZOXNVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-28(5-2)22-13-10-20(11-14-22)27-21-12-15-23(25-17-21)24(29)26-16-19-9-7-6-8-18(19)3/h6-15,17,27H,4-5,16H2,1-3H3,(H,26,29).
What are the key properties of 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-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 5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).