N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide

C29H32FN3O — CID 165395528

IUPACN-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide
SMILESCCc1c(C(C)(C)CC)cc(CCNC(=O)c2ccc3[nH]ccc3c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C29H32FN3O/c1-5-24-25(29(3,4)6-2)18-23(33-27(24)19-7-10-22(30)11-8-19)14-16-32-28(34)21-9-12-26-20(17-21)13-15-31-26/h7-13,15,17-18,31H,5-6,14,16H2,1-4H3,(H,32,34)
InChIKeyPYGGJNQXPJOVED-UHFFFAOYSA-N
MW457.59 g/mol
LogP6.59
Rot. Bonds8

About N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide

N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide (PubChem CID 165395528) has the molecular formula C29H32FN3O and a molecular weight of 457.59 g/mol. Its IUPAC name is N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide
PubChem CID165395528
Molecular FormulaC29H32FN3O
Molecular Weight457.59 g/mol
Exact Mass457.25
IUPAC NameN-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide
SMILESCCc1c(C(C)(C)CC)cc(CCNC(=O)c2ccc3[nH]ccc3c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C29H32FN3O/c1-5-24-25(29(3,4)6-2)18-23(33-27(24)19-7-10-22(30)11-8-19)14-16-32-28(34)21-9-12-26-20(17-21)13-15-31-26/h7-13,15,17-18,31H,5-6,14,16H2,1-4H3,(H,32,34)
InChIKeyPYGGJNQXPJOVED-UHFFFAOYSA-N
XLogP6.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
4-cyclopropyloxy-N-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-3-formyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-3-methoxybenzamide;methanamine
CID 164911508

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide (CID 165395528) is N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide is CCc1c(C(C)(C)CC)cc(CCNC(=O)c2ccc3[nH]ccc3c2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide?
The InChIKey is PYGGJNQXPJOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O/c1-5-24-25(29(3,4)6-2)18-23(33-27(24)19-7-10-22(30)11-8-19)14-16-32-28(34)21-9-12-26-20(17-21)13-15-31-26/h7-13,15,17-18,31H,5-6,14,16H2,1-4H3,(H,32,34).
What are the key properties of N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide?
N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide has a molecular weight of 457.59 g/mol, XLogP of 6.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-6-(4-fluorophenyl)-4-(2-methylbutan-2-yl)-2-pyridinyl]ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 165395528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).