N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C17H13ClF3N3O — CID 146093918

IUPACN-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H13ClF3N3O/c18-13-3-1-2-12-10(8-24-15(12)13)6-7-22-16(25)14-5-4-11(9-23-14)17(19,20)21/h1-5,8-9,24H,6-7H2,(H,22,25)
InChIKeyIRSOKLHQDCQHTL-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.21
Rot. Bonds4

About N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146093918) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146093918
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H13ClF3N3O/c18-13-3-1-2-12-10(8-24-15(12)13)6-7-22-16(25)14-5-4-11(9-23-14)17(19,20)21/h1-5,8-9,24H,6-7H2,(H,22,25)
InChIKeyIRSOKLHQDCQHTL-UHFFFAOYSA-N
XLogP4.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide 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

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide
CID 146093926
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 76846630
N-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909276
8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639778
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
2-[2-(7-hydroxy-1H-indol-3-yl)ethylamino]-5-(trifluoromethyl)benzoic acid
CID 171034141

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 146093918) is N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IRSOKLHQDCQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c18-13-3-1-2-12-10(8-24-15(12)13)6-7-22-16(25)14-5-4-11(9-23-14)17(19,20)21/h1-5,8-9,24H,6-7H2,(H,22,25).
What are the key properties of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 367.76 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146093918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).