N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide

C23H25N3O — CID 113018129

IUPACN-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)cc1
InChIInChI=1S/C23H25N3O/c1-16-5-7-17(8-6-16)22(27)26-20-13-14-21(24-15-20)25-19-11-9-18(10-12-19)23(2,3)4/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyVHKZLEASTSOUMG-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.68
Rot. Bonds4

About N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide

N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide (PubChem CID 113018129) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
PubChem CID113018129
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)cc1
InChIInChI=1S/C23H25N3O/c1-16-5-7-17(8-6-16)22(27)26-20-13-14-21(24-15-20)25-19-11-9-18(10-12-19)23(2,3)4/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyVHKZLEASTSOUMG-UHFFFAOYSA-N
XLogP5.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide (CID 113018129) is N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccc(C(C)(C)C)cc3)nc2)cc1.
What is the InChIKey of N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is VHKZLEASTSOUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-5-7-17(8-6-16)22(27)26-20-13-14-21(24-15-20)25-19-11-9-18(10-12-19)23(2,3)4/h5-15H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide?
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 5.68, 4 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]-4-methylbenzamide is sourced from PubChem (CID 113018129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).