N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide

C23H25N3O — CID 91773741

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
SMILESCN(Cc1cccc2cnccc12)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-25(15-21-9-5-8-19-14-24-12-10-22(19)21)23(27)17-26-13-11-20(16-26)18-6-3-2-4-7-18/h2-10,12,14,20H,11,13,15-17H2,1H3
InChIKeyNVFIZLXOJPLGIC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.68
Rot. Bonds5

About N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide

N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide (PubChem CID 91773741) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
PubChem CID91773741
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
SMILESCN(Cc1cccc2cnccc12)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-25(15-21-9-5-8-19-14-24-12-10-22(19)21)23(27)17-26-13-11-20(16-26)18-6-3-2-4-7-18/h2-10,12,14,20H,11,13,15-17H2,1H3
InChIKeyNVFIZLXOJPLGIC-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
CID 56909896
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97113287
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97113286
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963656
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 56744886
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70747961
N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351666
N-(3-phenylpyrrolidin-1-yl)sulfanylisoquinolin-5-amine
CID 156839112

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide (CID 91773741) is N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide is CN(Cc1cccc2cnccc12)C(=O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is NVFIZLXOJPLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-25(15-21-9-5-8-19-14-24-12-10-22(19)21)23(27)17-26-13-11-20(16-26)18-6-3-2-4-7-18/h2-10,12,14,20H,11,13,15-17H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 91773741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).