N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide

C21H21N5O2 — CID 71709200

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
SMILESCOc1ccccc1-c1nc(NC(=O)CCc2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C21H21N5O2/c1-26-13-14(15-7-3-5-9-17(15)26)11-12-19(27)22-21-23-20(24-25-21)16-8-4-6-10-18(16)28-2/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyMGMMSICHLBLRIG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds6

About N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide (PubChem CID 71709200) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
PubChem CID71709200
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
SMILESCOc1ccccc1-c1nc(NC(=O)CCc2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C21H21N5O2/c1-26-13-14(15-7-3-5-9-17(15)26)11-12-19(27)22-21-23-20(24-25-21)16-8-4-6-10-18(16)28-2/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyMGMMSICHLBLRIG-UHFFFAOYSA-N
XLogP3.54
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 55849926
N-(5-methyl-1H-imidazol-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 71913209
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55850056
3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
CID 71917336
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide (CID 71709200) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide is COc1ccccc1-c1nc(NC(=O)CCc2cn(C)c3ccccc23)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide?
The InChIKey is MGMMSICHLBLRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-13-14(15-7-3-5-9-17(15)26)11-12-19(27)22-21-23-20(24-25-21)16-8-4-6-10-18(16)28-2/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,25,27).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 71709200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).