N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide

C18H24N6O — CID 50778527

IUPACN-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1N1CCCC1)C1CCCCC1
InChIInChI=1S/C18H24N6O/c25-18(14-6-2-1-3-7-14)20-16-12-15(24-13-19-21-22-24)8-9-17(16)23-10-4-5-11-23/h8-9,12-14H,1-7,10-11H2,(H,20,25)
InChIKeyKFDXZRGIKUBXKJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.78
Rot. Bonds4

About N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide

N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide (PubChem CID 50778527) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
PubChem CID50778527
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1N1CCCC1)C1CCCCC1
InChIInChI=1S/C18H24N6O/c25-18(14-6-2-1-3-7-14)20-16-12-15(24-13-19-21-22-24)8-9-17(16)23-10-4-5-11-23/h8-9,12-14H,1-7,10-11H2,(H,20,25)
InChIKeyKFDXZRGIKUBXKJ-UHFFFAOYSA-N
XLogP2.78
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059
2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50778531
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide (CID 50778527) is N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1cc(-n2cnnn2)ccc1N1CCCC1)C1CCCCC1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is KFDXZRGIKUBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(14-6-2-1-3-7-14)20-16-12-15(24-13-19-21-22-24)8-9-17(16)23-10-4-5-11-23/h8-9,12-14H,1-7,10-11H2,(H,20,25).
What are the key properties of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide?
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 50778527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).