N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide

C17H11BrF6N4O — CID 154667006

IUPACN-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
SMILESCN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(Br)cc1
InChIInChI=1S/C17H11BrF6N4O/c1-28(10-4-2-9(18)3-5-10)14(29)8-26-15-11(7-25)12(16(19,20)21)6-13(27-15)17(22,23)24/h2-6H,8H2,1H3,(H,26,27)
InChIKeyVMIPJDKIOCJDMW-UHFFFAOYSA-N
MW481.19 g/mol
LogP4.83
Rot. Bonds4

About N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide

N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide (PubChem CID 154667006) has the molecular formula C17H11BrF6N4O and a molecular weight of 481.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
PubChem CID154667006
Molecular FormulaC17H11BrF6N4O
Molecular Weight481.19 g/mol
Exact Mass480.00
IUPAC NameN-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
SMILESCN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(Br)cc1
InChIInChI=1S/C17H11BrF6N4O/c1-28(10-4-2-9(18)3-5-10)14(29)8-26-15-11(7-25)12(16(19,20)21)6-13(27-15)17(22,23)24/h2-6H,8H2,1H3,(H,26,27)
InChIKeyVMIPJDKIOCJDMW-UHFFFAOYSA-N
XLogP4.83
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.19
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 950620
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168269123
(2S)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168273974
(2S)-2-[(3-cyano-6-methyl-4-propan-2-yl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168283475
(2R)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168275284
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 168287351
2-[[3-cyano-4,6-bis(trifluoromethyl)pyridin-2-yl]amino]-N-(4-fluorophenyl)-N-methylacetamide
CID 154666952
N-(2-Bromophenyl)-N'-[1-(6-methyl-4-trifluoromethylpyridin-2-yl)azetidin-3-yl]urea
CID 9910487
N-(4-aminophenyl)-N-[2-[(4,6-dimethylpyridin-2-yl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 87357102
2-[[3-cyano-4,6-bis(trifluoromethyl)pyridin-2-yl]amino]-N-(4-cyanophenyl)-N-methylacetamide
CID 154666924
2-[[3-cyano-4,6-bis(trifluoromethyl)pyridin-2-yl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide
CID 154666925
2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide
CID 154666930

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide (CID 154667006) is N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide is CN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
The InChIKey is VMIPJDKIOCJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF6N4O/c1-28(10-4-2-9(18)3-5-10)14(29)8-26-15-11(7-25)12(16(19,20)21)6-13(27-15)17(22,23)24/h2-6H,8H2,1H3,(H,26,27).
What are the key properties of N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide has a molecular weight of 481.19 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide is sourced from PubChem (CID 154667006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).