N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide

C18H17N5O2 — CID 167831441

IUPACN-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)Nc3n[nH]c(-c4ccoc4)n3)c2c1
InChIInChI=1S/C18H17N5O2/c1-11-2-4-15-14(8-11)12(9-19-15)3-5-16(24)20-18-21-17(22-23-18)13-6-7-25-10-13/h2,4,6-10,19H,3,5H2,1H3,(H2,20,21,22,23,24)
InChIKeyMVUGDYLLOICPLD-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.43
Rot. Bonds5

About N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide

N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide (PubChem CID 167831441) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
PubChem CID167831441
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)Nc3n[nH]c(-c4ccoc4)n3)c2c1
InChIInChI=1S/C18H17N5O2/c1-11-2-4-15-14(8-11)12(9-19-15)3-5-16(24)20-18-21-17(22-23-18)13-6-7-25-10-13/h2,4,6-10,19H,3,5H2,1H3,(H2,20,21,22,23,24)
InChIKeyMVUGDYLLOICPLD-UHFFFAOYSA-N
XLogP3.43
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 166581420
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CID 91638947
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3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
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N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
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N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 126779213
3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
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2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124725974
3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 95930494
N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide (CID 167831441) is N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide is Cc1ccc2[nH]cc(CCC(=O)Nc3n[nH]c(-c4ccoc4)n3)c2c1.
What is the InChIKey of N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The InChIKey is MVUGDYLLOICPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-2-4-15-14(8-11)12(9-19-15)3-5-16(24)20-18-21-17(22-23-18)13-6-7-25-10-13/h2,4,6-10,19H,3,5H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide?
N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide has a molecular weight of 335.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-3-(5-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 167831441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).