N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H21ClN4O2 — CID 119812384

IUPACN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccnc(Oc2ccc(NC(=O)CC3CCCN3)cc2)n1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-12-8-10-19-17(20-12)23-15-6-4-13(5-7-15)21-16(22)11-14-3-2-9-18-14;/h4-8,10,14,18H,2-3,9,11H2,1H3,(H,21,22);1H
InChIKeyZPZDWTBIDYQYPX-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.08
Rot. Bonds5

About N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119812384) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119812384
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccnc(Oc2ccc(NC(=O)CC3CCCN3)cc2)n1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-12-8-10-19-17(20-12)23-15-6-4-13(5-7-15)21-16(22)11-14-3-2-9-18-14;/h4-8,10,14,18H,2-3,9,11H2,1H3,(H,21,22);1H
InChIKeyZPZDWTBIDYQYPX-UHFFFAOYSA-N
XLogP3.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide
CID 119340018
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
CID 119340024
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(6-phenoxy-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119849176

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119812384) is N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccnc(Oc2ccc(NC(=O)CC3CCCN3)cc2)n1.Cl.
What is the InChIKey of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is ZPZDWTBIDYQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-12-8-10-19-17(20-12)23-15-6-4-13(5-7-15)21-16(22)11-14-3-2-9-18-14;/h4-8,10,14,18H,2-3,9,11H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119812384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).