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

C18H11F6N5O — CID 154666924

IUPAC2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(C#N)cc1
InChIInChI=1S/C18H11F6N5O/c1-29(11-4-2-10(7-25)3-5-11)15(30)9-27-16-12(8-26)13(17(19,20)21)6-14(28-16)18(22,23)24/h2-6H,9H2,1H3,(H,27,28)
InChIKeyYGUIMIDBFAELJI-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.94
Rot. Bonds4

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

2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide (PubChem CID 154666924) has the molecular formula C18H11F6N5O and a molecular weight of 427.31 g/mol. Its IUPAC name is 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide
PubChem CID154666924
Molecular FormulaC18H11F6N5O
Molecular Weight427.31 g/mol
Exact Mass427.09
IUPAC Name2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(C#N)cc1
InChIInChI=1S/C18H11F6N5O/c1-29(11-4-2-10(7-25)3-5-11)15(30)9-27-16-12(8-26)13(17(19,20)21)6-14(28-16)18(22,23)24/h2-6H,9H2,1H3,(H,27,28)
InChIKeyYGUIMIDBFAELJI-UHFFFAOYSA-N
XLogP3.94
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 154118
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CID 6426822
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
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N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide
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(2S)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(3-methylphenyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 156068834
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CID 740890
2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
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(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168269123
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide?
The IUPAC name of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide (CID 154666924) is 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide is CN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(C#N)cc1.
What is the InChIKey of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide?
The InChIKey is YGUIMIDBFAELJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N5O/c1-29(11-4-2-10(7-25)3-5-11)15(30)9-27-16-12(8-26)13(17(19,20)21)6-14(28-16)18(22,23)24/h2-6H,9H2,1H3,(H,27,28).
What are the key properties of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide?
2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide has a molecular weight of 427.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-(4-cyanophenyl)-N-methylacetamide is sourced from PubChem (CID 154666924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).