N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide

C24H28N4O — CID 113022558

IUPACN-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-5-28(6-2)20-12-13-22(18(4)15-20)27-23-14-11-19(16-25-23)26-24(29)21-10-8-7-9-17(21)3/h7-16H,5-6H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyUCPWWKABTDHTQW-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.54
Rot. Bonds7

About N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide

N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide (PubChem CID 113022558) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
PubChem CID113022558
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-5-28(6-2)20-12-13-22(18(4)15-20)27-23-14-11-19(16-25-23)26-24(29)21-10-8-7-9-17(21)3/h7-16H,5-6H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyUCPWWKABTDHTQW-UHFFFAOYSA-N
XLogP5.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.54
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-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide (CID 113022558) is N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3C)cn2)c(C)c1.
What is the InChIKey of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide?
The InChIKey is UCPWWKABTDHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-5-28(6-2)20-12-13-22(18(4)15-20)27-23-14-11-19(16-25-23)26-24(29)21-10-8-7-9-17(21)3/h7-16H,5-6H2,1-4H3,(H,25,27)(H,26,29).
What are the key properties of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide?
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide has a molecular weight of 388.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113022558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).