N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C21H25N7O2 — CID 9462408

IUPACN-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOCCCn1c(C)c(C)c(C#N)c1NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C21H25N7O2/c1-14-8-5-6-9-17(14)20-24-26-28(25-20)13-19(29)23-21-18(12-22)15(2)16(3)27(21)10-7-11-30-4/h5-6,8-9H,7,10-11,13H2,1-4H3,(H,23,29)
InChIKeyPYSIQRCFGHAYBV-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.61
Rot. Bonds8

About N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 9462408) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID9462408
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOCCCn1c(C)c(C)c(C#N)c1NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C21H25N7O2/c1-14-8-5-6-9-17(14)20-24-26-28(25-20)13-19(29)23-21-18(12-22)15(2)16(3)27(21)10-7-11-30-4/h5-6,8-9H,7,10-11,13H2,1-4H3,(H,23,29)
InChIKeyPYSIQRCFGHAYBV-UHFFFAOYSA-N
XLogP2.61
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylpiperidin-1-yl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide
CID 9430524
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide
CID 38873567
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
CID 46582903
N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 9432508
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 9462365
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
2-[4-[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24507362
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350192

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 9462408) is N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is COCCCn1c(C)c(C)c(C#N)c1NC(=O)Cn1nnc(-c2ccccc2C)n1.
What is the InChIKey of N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PYSIQRCFGHAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-14-8-5-6-9-17(14)20-24-26-28(25-20)13-19(29)23-21-18(12-22)15(2)16(3)27(21)10-7-11-30-4/h5-6,8-9H,7,10-11,13H2,1-4H3,(H,23,29).
What are the key properties of N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 407.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9462408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).