N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C18H23Cl2N3O — CID 119828990

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C18H21N3O.2ClH/c22-18(13-17-2-1-9-20-17)21-16-5-3-14(4-6-16)12-15-7-10-19-11-8-15;;/h3-8,10-11,17,20H,1-2,9,12-13H2,(H,21,22);2*1H
InChIKeyVHPRNDQQTIIDPZ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119828990) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119828990
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C18H21N3O.2ClH/c22-18(13-17-2-1-9-20-17)21-16-5-3-14(4-6-16)12-15-7-10-19-11-8-15;;/h3-8,10-11,17,20H,1-2,9,12-13H2,(H,21,22);2*1H
InChIKeyVHPRNDQQTIIDPZ-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-[4-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366016
2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 119808865
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N-(9H-fluoren-2-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680276

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119828990) is N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is VHPRNDQQTIIDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c22-18(13-17-2-1-9-20-17)21-16-5-3-14(4-6-16)12-15-7-10-19-11-8-15;;/h3-8,10-11,17,20H,1-2,9,12-13H2,(H,21,22);2*1H.
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119828990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).