2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

C20H11F7N4O — CID 154672803

IUPAC2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1[nH]c(=O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C20H11F7N4O/c21-11-3-1-10(2-4-11)12-5-6-17(32)30-15(12)9-29-18-13(8-28)14(19(22,23)24)7-16(31-18)20(25,26)27/h1-7H,9H2,(H,29,31)(H,30,32)
InChIKeyZIACETSANFWYPK-UHFFFAOYSA-N
MW456.32 g/mol
LogP5.10
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 154672803) has the molecular formula C20H11F7N4O and a molecular weight of 456.32 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID154672803
Molecular FormulaC20H11F7N4O
Molecular Weight456.32 g/mol
Exact Mass456.08
IUPAC Name2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1[nH]c(=O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C20H11F7N4O/c21-11-3-1-10(2-4-11)12-5-6-17(32)30-15(12)9-29-18-13(8-28)14(19(22,23)24)7-16(31-18)20(25,26)27/h1-7H,9H2,(H,29,31)(H,30,32)
InChIKeyZIACETSANFWYPK-UHFFFAOYSA-N
XLogP5.10
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile 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

2-[[3-(4-bromophenyl)-2-pyridinyl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672801
2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672755
2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 155026513
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 169107325
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
methyl 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 4778337
6-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4096555
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 53256598
6-(4-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1477185
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
CID 10913190

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile (CID 154672803) is 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1[nH]c(=O)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZIACETSANFWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7N4O/c21-11-3-1-10(2-4-11)12-5-6-17(32)30-15(12)9-29-18-13(8-28)14(19(22,23)24)7-16(31-18)20(25,26)27/h1-7H,9H2,(H,29,31)(H,30,32).
What are the key properties of 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 456.32 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 154672803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).