N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

C19H22ClN3O — CID 110094722

IUPACN-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCCN2Cc2ccccc2Cl)nc1
InChIInChI=1S/C19H22ClN3O/c1-14(24)21-11-15-8-9-18(22-12-15)19-7-4-10-23(19)13-16-5-2-3-6-17(16)20/h2-3,5-6,8-9,12,19H,4,7,10-11,13H2,1H3,(H,21,24)
InChIKeyYFHCCXDIGYACPM-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.71
Rot. Bonds5

About N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 110094722) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
PubChem CID110094722
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCCN2Cc2ccccc2Cl)nc1
InChIInChI=1S/C19H22ClN3O/c1-14(24)21-11-15-8-9-18(22-12-15)19-7-4-10-23(19)13-16-5-2-3-6-17(16)20/h2-3,5-6,8-9,12,19H,4,7,10-11,13H2,1H3,(H,21,24)
InChIKeyYFHCCXDIGYACPM-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790
N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094772
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124953950
N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110107855
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
N-[[6-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094766
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816244
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (CID 110094722) is N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(C2CCCN2Cc2ccccc2Cl)nc1.
What is the InChIKey of N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is YFHCCXDIGYACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14(24)21-11-15-8-9-18(22-12-15)19-7-4-10-23(19)13-16-5-2-3-6-17(16)20/h2-3,5-6,8-9,12,19H,4,7,10-11,13H2,1H3,(H,21,24).
What are the key properties of N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110094722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).