N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide

C26H28F3N3O — CID 69443335

IUPACN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H28F3N3O/c1-15(2)13-22-21(14-30)23(18-7-5-16(3)6-8-18)24(17(4)31-22)32-25(33)19-9-11-20(12-10-19)26(27,28)29/h5-12,15H,13-14,30H2,1-4H3,(H,32,33)
InChIKeyUYCGVVKMYFZPBO-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.29
Rot. Bonds6

About N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide

N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 69443335) has the molecular formula C26H28F3N3O and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID69443335
Molecular FormulaC26H28F3N3O
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H28F3N3O/c1-15(2)13-22-21(14-30)23(18-7-5-16(3)6-8-18)24(17(4)31-22)32-25(33)19-9-11-20(12-10-19)26(27,28)29/h5-12,15H,13-14,30H2,1-4H3,(H,32,33)
InChIKeyUYCGVVKMYFZPBO-UHFFFAOYSA-N
XLogP6.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 174512538
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide;dihydrochloride
CID 174512537
4-N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 174512400
3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
3-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid
CID 174497406
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-2,5-dimethylfuran-3-carboxamide
CID 69444483
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
CID 69443877
[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
CID 174512378
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide
CID 69444575
4-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]benzoic acid;dihydrochloride
CID 69446088
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride
CID 69449207
2-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid;dihydrochloride
CID 174497476

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 69443335) is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide is Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UYCGVVKMYFZPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O/c1-15(2)13-22-21(14-30)23(18-7-5-16(3)6-8-18)24(17(4)31-22)32-25(33)19-9-11-20(12-10-19)26(27,28)29/h5-12,15H,13-14,30H2,1-4H3,(H,32,33).
What are the key properties of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 455.52 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 69443335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).