N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide

C18H20F3N3O — CID 113015372

IUPACN-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C18H20F3N3O/c1-3-4-11-24(2)16-10-9-15(12-22-16)23-17(25)13-5-7-14(8-6-13)18(19,20)21/h5-10,12H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyMWQQSPQUTWTPOF-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.59
Rot. Bonds6

About N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide

N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 113015372) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID113015372
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C18H20F3N3O/c1-3-4-11-24(2)16-10-9-15(12-22-16)23-17(25)13-5-7-14(8-6-13)18(19,20)21/h5-10,12H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyMWQQSPQUTWTPOF-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
CID 113015333
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71625320
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
CID 113015385
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
CID 113015435
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158137

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 113015372) is N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide is CCCCN(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MWQQSPQUTWTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-3-4-11-24(2)16-10-9-15(12-22-16)23-17(25)13-5-7-14(8-6-13)18(19,20)21/h5-10,12H,3-4,11H2,1-2H3,(H,23,25).
What are the key properties of N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113015372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).