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

C19H25N7O2 — CID 654097

IUPAC1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C19H25N7O2/c27-18(21-15-8-10-16(11-9-15)26-13-20-23-24-26)17-7-4-12-25(17)19(28)22-14-5-2-1-3-6-14/h8-11,13-14,17H,1-7,12H2,(H,21,27)(H,22,28)
InChIKeyFLTKEMQAHQWTOK-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.11
Rot. Bonds4

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

1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 654097) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID654097
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C19H25N7O2/c27-18(21-15-8-10-16(11-9-15)26-13-20-23-24-26)17-7-4-12-25(17)19(28)22-14-5-2-1-3-6-14/h8-11,13-14,17H,1-7,12H2,(H,21,27)(H,22,28)
InChIKeyFLTKEMQAHQWTOK-UHFFFAOYSA-N
XLogP2.11
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 654097) is 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is FLTKEMQAHQWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c27-18(21-15-8-10-16(11-9-15)26-13-20-23-24-26)17-7-4-12-25(17)19(28)22-14-5-2-1-3-6-14/h8-11,13-14,17H,1-7,12H2,(H,21,27)(H,22,28).
What are the key properties of 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 383.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 654097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).