1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C22H25N7O2 — CID 3230213

IUPAC1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C22H25N7O2/c1-14-9-15(2)11-18(10-14)25-22(31)28-8-4-5-20(28)21(30)24-17-6-7-19(16(3)12-17)29-13-23-26-27-29/h6-7,9-13,20H,4-5,8H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyCMKKECXJYCYRDB-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.22
Rot. Bonds4

About 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3230213) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3230213
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C22H25N7O2/c1-14-9-15(2)11-18(10-14)25-22(31)28-8-4-5-20(28)21(30)24-17-6-7-19(16(3)12-17)29-13-23-26-27-29/h6-7,9-13,20H,4-5,8H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyCMKKECXJYCYRDB-UHFFFAOYSA-N
XLogP3.22
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 3230213) is 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is Cc1cc(C)cc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is CMKKECXJYCYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-9-15(2)11-18(10-14)25-22(31)28-8-4-5-20(28)21(30)24-17-6-7-19(16(3)12-17)29-13-23-26-27-29/h6-7,9-13,20H,4-5,8H2,1-3H3,(H,24,30)(H,25,31).
What are the key properties of 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).