N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C21H19N5O — CID 52668609

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCc1nc(-c2cccc(NC(=O)Cc3ccc(-n4cccc4)cc3)c2)n[nH]1
InChIInChI=1S/C21H19N5O/c1-15-22-21(25-24-15)17-5-4-6-18(14-17)23-20(27)13-16-7-9-19(10-8-16)26-11-2-3-12-26/h2-12,14H,13H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyGQHAHRFRUVSVIX-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.75
Rot. Bonds5

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 52668609) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID52668609
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCc1nc(-c2cccc(NC(=O)Cc3ccc(-n4cccc4)cc3)c2)n[nH]1
InChIInChI=1S/C21H19N5O/c1-15-22-21(25-24-15)17-5-4-6-18(14-17)23-20(27)13-16-7-9-19(10-8-16)26-11-2-3-12-26/h2-12,14H,13H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyGQHAHRFRUVSVIX-UHFFFAOYSA-N
XLogP3.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55825158
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 55945657
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55825920
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39678341
2-(3-ethylazetidin-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 166253099

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 52668609) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide is Cc1nc(-c2cccc(NC(=O)Cc3ccc(-n4cccc4)cc3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is GQHAHRFRUVSVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-22-21(25-24-15)17-5-4-6-18(14-17)23-20(27)13-16-7-9-19(10-8-16)26-11-2-3-12-26/h2-12,14H,13H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 357.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 52668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).