3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile

C20H12F3N3O — CID 122224733

IUPAC3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile
SMILESN#Cc1c2c(c(=O)n(-c3ccc(C(F)(F)F)cc3)c1N)Cc1ccccc1-2
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)12-5-7-13(8-6-12)26-18(25)16(10-24)17-14-4-2-1-3-11(14)9-15(17)19(26)27/h1-8H,9,25H2
InChIKeyJDEZOTJYVGOURZ-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.88
Rot. Bonds1

About 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile

3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile (PubChem CID 122224733) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile
PubChem CID122224733
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile
SMILESN#Cc1c2c(c(=O)n(-c3ccc(C(F)(F)F)cc3)c1N)Cc1ccccc1-2
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)12-5-7-13(8-6-12)26-18(25)16(10-24)17-14-4-2-1-3-11(14)9-15(17)19(26)27/h1-8H,9,25H2
InChIKeyJDEZOTJYVGOURZ-UHFFFAOYSA-N
XLogP3.88
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537916
3-oxo-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile
CID 2737979
2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537920
12-(3,4-dihydro-1H-isoquinolin-2-yl)pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene-11-carbonitrile
CID 102081518
6-amino-3,3-dimethyl-8-oxo-7-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
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CID 139668299
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
10-oxo-1,4-bis(sulfanyl)-9H-anthracene-2,3-dicarbonitrile
CID 140979793
2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71835247
3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
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2,4-dioxo-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 167497603

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile (CID 122224733) is 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile is N#Cc1c2c(c(=O)n(-c3ccc(C(F)(F)F)cc3)c1N)Cc1ccccc1-2.
What is the InChIKey of 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile?
The InChIKey is JDEZOTJYVGOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)12-5-7-13(8-6-12)26-18(25)16(10-24)17-14-4-2-1-3-11(14)9-15(17)19(26)27/h1-8H,9,25H2.
What are the key properties of 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile?
3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile has a molecular weight of 367.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile is sourced from PubChem (CID 122224733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).