N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide

C18H16F3N3O2 — CID 617833

IUPACN-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccnc1
InChIInChI=1S/C18H16F3N3O2/c1-11-14(6-8-23-17(25)12-3-2-7-22-10-12)15-9-13(26-18(19,20)21)4-5-16(15)24-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,23,25)
InChIKeyMRPNVNZSOGGOCD-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide

N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 617833) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID617833
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccnc1
InChIInChI=1S/C18H16F3N3O2/c1-11-14(6-8-23-17(25)12-3-2-7-22-10-12)15-9-13(26-18(19,20)21)4-5-16(15)24-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,23,25)
InChIKeyMRPNVNZSOGGOCD-UHFFFAOYSA-N
XLogP3.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829
N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-3-nitrobenzamide
CID 44616010
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 71296706
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326044
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
propan-2-yl (1R,6R)-6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 1265746
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide
CID 91949032
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide (CID 617833) is N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide is Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is MRPNVNZSOGGOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-11-14(6-8-23-17(25)12-3-2-7-22-10-12)15-9-13(26-18(19,20)21)4-5-16(15)24-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,23,25).
What are the key properties of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide?
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 617833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).