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

C16H22N6O — CID 50776994

IUPACN-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1
InChIInChI=1S/C16H22N6O/c1-2-3-6-16(23)18-14-11-13(22-12-17-19-20-22)7-8-15(14)21-9-4-5-10-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,23)
InChIKeyPQDNWAOSHIGTLN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.39
Rot. Bonds6

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

N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide (PubChem CID 50776994) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
PubChem CID50776994
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1
InChIInChI=1S/C16H22N6O/c1-2-3-6-16(23)18-14-11-13(22-12-17-19-20-22)7-8-15(14)21-9-4-5-10-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,23)
InChIKeyPQDNWAOSHIGTLN-UHFFFAOYSA-N
XLogP2.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.39
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

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
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide (CID 50776994) is N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide is CCCCC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide?
The InChIKey is PQDNWAOSHIGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-3-6-16(23)18-14-11-13(22-12-17-19-20-22)7-8-15(14)21-9-4-5-10-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,23).
What are the key properties of N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide?
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide has a molecular weight of 314.39 g/mol, XLogP of 2.39, 6 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]pentanamide is sourced from PubChem (CID 50776994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).