2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide

C19H13F7N4O — CID 154666925

IUPAC2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)N(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H13F7N4O/c20-10-1-3-11(4-2-10)30(12-5-6-12)16(31)9-28-17-13(8-27)14(18(21,22)23)7-15(29-17)19(24,25)26/h1-4,7,12H,5-6,9H2,(H,28,29)
InChIKeyAVCBYXIXAVBOLT-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.74
Rot. Bonds5

About 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide

2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide (PubChem CID 154666925) has the molecular formula C19H13F7N4O and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide
PubChem CID154666925
Molecular FormulaC19H13F7N4O
Molecular Weight446.33 g/mol
Exact Mass446.10
IUPAC Name2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)N(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H13F7N4O/c20-10-1-3-11(4-2-10)30(12-5-6-12)16(31)9-28-17-13(8-27)14(18(21,22)23)7-15(29-17)19(24,25)26/h1-4,7,12H,5-6,9H2,(H,28,29)
InChIKeyAVCBYXIXAVBOLT-UHFFFAOYSA-N
XLogP4.74
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2S)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(3-methylphenyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 156068834
(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-(trifluoromethyl)-2-pyridinyl]amino]-N-ethyl-3-hydroxy-N-(3-methylphenyl)propanamide
CID 168276045
(2S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-ethyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 168277249
(2S)-2-[(3-cyano-6-methyl-4-propan-2-yl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168283475
3-[4-(methylamino)-2-oxo-7-(trifluoro-methyl)pyrido[2,3-d]pyrimidin-1(2H)-yl)benzonitrile
CID 153608549
US11084798, Cpd No 770
CID 162533599
(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-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-methyl-N-phenylacetamide
CID 154666931

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide (CID 154666925) is 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)N(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide?
The InChIKey is AVCBYXIXAVBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F7N4O/c20-10-1-3-11(4-2-10)30(12-5-6-12)16(31)9-28-17-13(8-27)14(18(21,22)23)7-15(29-17)19(24,25)26/h1-4,7,12H,5-6,9H2,(H,28,29).
What are the key properties of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide?
2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide has a molecular weight of 446.33 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-N-cyclopropyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 154666925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).