N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C19H25Cl2N3O — CID 119897485

IUPACN-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1ccc(-c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14(22-19(23)12-18-5-3-11-21-18)15-6-8-16(9-7-15)17-4-2-10-20-13-17;;/h2,4,6-10,13-14,18,21H,3,5,11-12H2,1H3,(H,22,23);2*1H
InChIKeyVZVIXLMACAWRCJ-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119897485) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119897485
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC NameN-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1ccc(-c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14(22-19(23)12-18-5-3-11-21-18)15-6-8-16(9-7-15)17-4-2-10-20-13-17;;/h2,4,6-10,13-14,18,21H,3,5,11-12H2,1H3,(H,22,23);2*1H
InChIKeyVZVIXLMACAWRCJ-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 170764199
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 58739173
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119897485) is N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CC(NC(=O)CC1CCCN1)c1ccc(-c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is VZVIXLMACAWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-14(22-19(23)12-18-5-3-11-21-18)15-6-8-16(9-7-15)17-4-2-10-20-13-17;;/h2,4,6-10,13-14,18,21H,3,5,11-12H2,1H3,(H,22,23);2*1H.
What are the key properties of N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119897485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).