N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide

C21H21N5O2 — CID 91638996

IUPACN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOCc1nc(-c2cccc(NC(=O)Cc3cn(C)c4ccccc34)c2)n[nH]1
InChIInChI=1S/C21H21N5O2/c1-26-12-15(17-8-3-4-9-18(17)26)11-20(27)22-16-7-5-6-14(10-16)21-23-19(13-28-2)24-25-21/h3-10,12H,11,13H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyKJQMYBLNBGZANN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.29
Rot. Bonds6

About N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide

N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 91638996) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID91638996
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOCc1nc(-c2cccc(NC(=O)Cc3cn(C)c4ccccc34)c2)n[nH]1
InChIInChI=1S/C21H21N5O2/c1-26-12-15(17-8-3-4-9-18(17)26)11-20(27)22-16-7-5-6-14(10-16)21-23-19(13-28-2)24-25-21/h3-10,12H,11,13H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyKJQMYBLNBGZANN-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
CID 71709227
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71708029
(3S)-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434169
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91822355
2-(1-methoxyindol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 141490312
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
CID 131950587
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide
CID 56824846
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide (CID 91638996) is N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide is COCc1nc(-c2cccc(NC(=O)Cc3cn(C)c4ccccc34)c2)n[nH]1.
What is the InChIKey of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is KJQMYBLNBGZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-12-15(17-8-3-4-9-18(17)26)11-20(27)22-16-7-5-6-14(10-16)21-23-19(13-28-2)24-25-21/h3-10,12H,11,13H2,1-2H3,(H,22,27)(H,23,24,25).
What are the key properties of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide?
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 91638996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).