N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C24H23FN4O — CID 67232481

IUPACN-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCCN(CCc1c[nH]c2ccccc12)C(=O)c1nccnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C24H23FN4O/c1-3-29(13-10-18-15-28-21-7-5-4-6-19(18)21)24(30)23-22(26-11-12-27-23)17-8-9-20(25)16(2)14-17/h4-9,11-12,14-15,28H,3,10,13H2,1-2H3
InChIKeyFKMKYPYYYJTHSV-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.78
Rot. Bonds6

About N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 67232481) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID67232481
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCCN(CCc1c[nH]c2ccccc12)C(=O)c1nccnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C24H23FN4O/c1-3-29(13-10-18-15-28-21-7-5-4-6-19(18)21)24(30)23-22(26-11-12-27-23)17-8-9-20(25)16(2)14-17/h4-9,11-12,14-15,28H,3,10,13H2,1-2H3
InChIKeyFKMKYPYYYJTHSV-UHFFFAOYSA-N
XLogP4.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluoro-3-methylphenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 152561012
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
CID 45377349
N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232730
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 45377350
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluorophenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 150924931
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propan-2-ylpyrazine-2-carboxamide
CID 45377488
4-(3,4-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 67232399
4-(4-bromo-3-chlorophenyl)-N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
CID 67231113
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 67234284
N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215333
3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide
CID 157150667
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 67232481) is N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is CCN(CCc1c[nH]c2ccccc12)C(=O)c1nccnc1-c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is FKMKYPYYYJTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-3-29(13-10-18-15-28-21-7-5-4-6-19(18)21)24(30)23-22(26-11-12-27-23)17-8-9-20(25)16(2)14-17/h4-9,11-12,14-15,28H,3,10,13H2,1-2H3.
What are the key properties of N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67232481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).