N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide

C24H28N4O — CID 113036965

IUPACN-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)nc2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)21-12-13-22(18(3)15-21)26-20-11-14-23(25-17-20)27-24(29)16-19-9-7-6-8-10-19/h6-15,17,26H,4-5,16H2,1-3H3,(H,25,27,29)
InChIKeyIPYBKXHYQVGXCE-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.16
Rot. Bonds8

About N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide

N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide (PubChem CID 113036965) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
PubChem CID113036965
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)nc2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-4-28(5-2)21-12-13-22(18(3)15-21)26-20-11-14-23(25-17-20)27-24(29)16-19-9-7-6-8-10-19/h6-15,17,26H,4-5,16H2,1-3H3,(H,25,27,29)
InChIKeyIPYBKXHYQVGXCE-UHFFFAOYSA-N
XLogP5.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.16
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

1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200907
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2-phenylacetamide
CID 113037370

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide (CID 113036965) is N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)nc2)c(C)c1.
What is the InChIKey of N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is IPYBKXHYQVGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-28(5-2)21-12-13-22(18(3)15-21)26-20-11-14-23(25-17-20)27-24(29)16-19-9-7-6-8-10-19/h6-15,17,26H,4-5,16H2,1-3H3,(H,25,27,29).
What are the key properties of N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide?
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 388.52 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113036965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).