1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C21H23N7O2 — CID 3230349

IUPAC1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H23N7O2/c1-14-5-3-6-15(2)19(14)24-21(30)27-12-4-7-18(27)20(29)23-16-8-10-17(11-9-16)28-13-22-25-26-28/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyKCEHWBHRVGDWBM-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.91
Rot. Bonds4

About 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3230349) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3230349
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H23N7O2/c1-14-5-3-6-15(2)19(14)24-21(30)27-12-4-7-18(27)20(29)23-16-8-10-17(11-9-16)28-13-22-25-26-28/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyKCEHWBHRVGDWBM-UHFFFAOYSA-N
XLogP2.91
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 3230349) is 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is Cc1cccc(C)c1NC(=O)N1CCCC1C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is KCEHWBHRVGDWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-14-5-3-6-15(2)19(14)24-21(30)27-12-4-7-18(27)20(29)23-16-8-10-17(11-9-16)28-13-22-25-26-28/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).