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

C20H22N6O — CID 50777059

IUPAC3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1N1CCCC1
InChIInChI=1S/C20H22N6O/c27-20(11-8-16-6-2-1-3-7-16)22-18-14-17(26-15-21-23-24-26)9-10-19(18)25-12-4-5-13-25/h1-3,6-7,9-10,14-15H,4-5,8,11-13H2,(H,22,27)
InChIKeyDFZDGKYYQIDIGK-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.83
Rot. Bonds6

About 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide

3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 50777059) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
PubChem CID50777059
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1N1CCCC1
InChIInChI=1S/C20H22N6O/c27-20(11-8-16-6-2-1-3-7-16)22-18-14-17(26-15-21-23-24-26)9-10-19(18)25-12-4-5-13-25/h1-3,6-7,9-10,14-15H,4-5,8,11-13H2,(H,22,27)
InChIKeyDFZDGKYYQIDIGK-UHFFFAOYSA-N
XLogP2.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.83
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-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
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-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide (CID 50777059) is 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide is O=C(CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1N1CCCC1.
What is the InChIKey of 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is DFZDGKYYQIDIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(11-8-16-6-2-1-3-7-16)22-18-14-17(26-15-21-23-24-26)9-10-19(18)25-12-4-5-13-25/h1-3,6-7,9-10,14-15H,4-5,8,11-13H2,(H,22,27).
What are the key properties of 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide?
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 362.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 50777059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).