N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H10F6N4O — CID 58138931

IUPACN-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)cc2cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C18H10F6N4O/c19-17(20,21)13-2-1-10(8-26-13)16(29)27-7-9-3-11-5-14(18(22,23)24)28-15(11)12(4-9)6-25/h1-5,8,28H,7H2,(H,27,29)
InChIKeyWCDSECVTVUOERK-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.40
Rot. Bonds3

About N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58138931) has the molecular formula C18H10F6N4O and a molecular weight of 412.29 g/mol. Its IUPAC name is N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58138931
Molecular FormulaC18H10F6N4O
Molecular Weight412.29 g/mol
Exact Mass412.08
IUPAC NameN-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)cc2cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C18H10F6N4O/c19-17(20,21)13-2-1-10(8-26-13)16(29)27-7-9-3-11-5-14(18(22,23)24)28-15(11)12(4-9)6-25/h1-5,8,28H,7H2,(H,27,29)
InChIKeyWCDSECVTVUOERK-UHFFFAOYSA-N
XLogP4.40
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 58138931) is N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is N#Cc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)cc2cc(C(F)(F)F)[nH]c12.
What is the InChIKey of N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WCDSECVTVUOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4O/c19-17(20,21)13-2-1-10(8-26-13)16(29)27-7-9-3-11-5-14(18(22,23)24)28-15(11)12(4-9)6-25/h1-5,8,28H,7H2,(H,27,29).
What are the key properties of N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 412.29 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-cyano-2-(trifluoromethyl)-1H-indol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58138931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).