N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride

C22H27ClN6O — CID 171710628

IUPACN-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCCn1nnc(-c2cccc(NC(=O)Cc3ccc(CC4CCNC4)cc3)c2)n1.Cl
InChIInChI=1S/C22H26N6O.ClH/c1-2-28-26-22(25-27-28)19-4-3-5-20(14-19)24-21(29)13-17-8-6-16(7-9-17)12-18-10-11-23-15-18;/h3-9,14,18,23H,2,10-13,15H2,1H3,(H,24,29);1H
InChIKeyMSAUUCXUYKEVHR-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.12
Rot. Bonds7

About N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride

N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 171710628) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
PubChem CID171710628
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC NameN-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCCn1nnc(-c2cccc(NC(=O)Cc3ccc(CC4CCNC4)cc3)c2)n1.Cl
InChIInChI=1S/C22H26N6O.ClH/c1-2-28-26-22(25-27-28)19-4-3-5-20(14-19)24-21(29)13-17-8-6-16(7-9-17)12-18-10-11-23-15-18;/h3-9,14,18,23H,2,10-13,15H2,1H3,(H,24,29);1H
InChIKeyMSAUUCXUYKEVHR-UHFFFAOYSA-N
XLogP3.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride (CID 171710628) is N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride is CCn1nnc(-c2cccc(NC(=O)Cc3ccc(CC4CCNC4)cc3)c2)n1.Cl.
What is the InChIKey of N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is MSAUUCXUYKEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.ClH/c1-2-28-26-22(25-27-28)19-4-3-5-20(14-19)24-21(29)13-17-8-6-16(7-9-17)12-18-10-11-23-15-18;/h3-9,14,18,23H,2,10-13,15H2,1H3,(H,24,29);1H.
What are the key properties of N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171710628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).