2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide

C16H18N6O2 — CID 110204423

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)ccc2C)cc1-c1nn[nH]n1
InChIInChI=1S/C16H18N6O2/c1-10-4-5-11(2)22(10)9-15(23)17-12-6-7-14(24-3)13(8-12)16-18-20-21-19-16/h4-8H,9H2,1-3H3,(H,17,23)(H,18,19,20,21)
InChIKeyNYCXLJLZIGNOLY-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.93
Rot. Bonds5

About 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide

2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 110204423) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID110204423
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)ccc2C)cc1-c1nn[nH]n1
InChIInChI=1S/C16H18N6O2/c1-10-4-5-11(2)22(10)9-15(23)17-12-6-7-14(24-3)13(8-12)16-18-20-21-19-16/h4-8H,9H2,1-3H3,(H,17,23)(H,18,19,20,21)
InChIKeyNYCXLJLZIGNOLY-UHFFFAOYSA-N
XLogP1.93
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
CID 125434339
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
CID 127254540
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125431434
2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide
CID 110205418
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 110205242
4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide
CID 167816233
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313
N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 166784768
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688871

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide (CID 110204423) is 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide is COc1ccc(NC(=O)Cn2c(C)ccc2C)cc1-c1nn[nH]n1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is NYCXLJLZIGNOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-4-5-11(2)22(10)9-15(23)17-12-6-7-14(24-3)13(8-12)16-18-20-21-19-16/h4-8H,9H2,1-3H3,(H,17,23)(H,18,19,20,21).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide?
2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 110204423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).