N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

C24H27N3O — CID 113018155

IUPACN-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)c1
InChIInChI=1S/C24H27N3O/c1-17-6-5-7-18(14-17)15-23(28)27-21-12-13-22(25-16-21)26-20-10-8-19(9-11-20)24(2,3)4/h5-14,16H,15H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyAHKFOEBTWJTBFZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.61
Rot. Bonds5

About N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113018155) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113018155
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)c1
InChIInChI=1S/C24H27N3O/c1-17-6-5-7-18(14-17)15-23(28)27-21-12-13-22(25-16-21)26-20-10-8-19(9-11-20)24(2,3)4/h5-14,16H,15H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyAHKFOEBTWJTBFZ-UHFFFAOYSA-N
XLogP5.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113018155) is N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)c1.
What is the InChIKey of N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is AHKFOEBTWJTBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-6-5-7-18(14-17)15-23(28)27-21-12-13-22(25-16-21)26-20-10-8-19(9-11-20)24(2,3)4/h5-14,16H,15H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113018155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).