1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide

C22H20F3N5O — CID 163399619

IUPAC1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESN#Cc1ccc(NC2CCC(n3cc(C(N)=O)c4ccncc43)CC2)cc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)19-9-15(2-1-13(19)10-26)29-14-3-5-16(6-4-14)30-12-18(21(27)31)17-7-8-28-11-20(17)30/h1-2,7-9,11-12,14,16,29H,3-6H2,(H2,27,31)
InChIKeyAKNUBTALAYUSOE-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.62
Rot. Bonds4

About 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide

1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 163399619) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID163399619
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESN#Cc1ccc(NC2CCC(n3cc(C(N)=O)c4ccncc43)CC2)cc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)19-9-15(2-1-13(19)10-26)29-14-3-5-16(6-4-14)30-12-18(21(27)31)17-7-8-28-11-20(17)30/h1-2,7-9,11-12,14,16,29H,3-6H2,(H2,27,31)
InChIKeyAKNUBTALAYUSOE-UHFFFAOYSA-N
XLogP4.62
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide
CID 163399648
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane
CID 167579715
tert-butyl N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]carbamate
CID 163399584
4-(piperidin-4-ylamino)-2-(trifluoromethyl)benzonitrile
CID 43345818
4-[[1-[2-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]piperidin-4-yl]amino]benzenecarboximidamide
CID 144994150
1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide
CID 166009085
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]-4-methoxybenzamide
CID 163399624
ethyl 4-[[1-[3-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]propanoyl]piperidin-4-yl]amino]benzoate
CID 143820573
4-[(3-methylsulfanylcyclopentyl)amino]-2-(trifluoromethyl)benzonitrile
CID 103704206
4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
4-(oxan-3-ylamino)-2-(trifluoromethyl)benzonitrile
CID 63361800

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide (CID 163399619) is 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide is N#Cc1ccc(NC2CCC(n3cc(C(N)=O)c4ccncc43)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is AKNUBTALAYUSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c23-22(24,25)19-9-15(2-1-13(19)10-26)29-14-3-5-16(6-4-14)30-12-18(21(27)31)17-7-8-28-11-20(17)30/h1-2,7-9,11-12,14,16,29H,3-6H2,(H2,27,31).
What are the key properties of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide?
1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 163399619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).