N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide

C16H21N3O2 — CID 64598916

IUPACN-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOCC1CCN(CCC(=O)Nc2ccccc2C#N)C1
InChIInChI=1S/C16H21N3O2/c1-21-12-13-6-8-19(11-13)9-7-16(20)18-15-5-3-2-4-14(15)10-17/h2-5,13H,6-9,11-12H2,1H3,(H,18,20)
InChIKeySOQVCUHGQRFQKJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.86
Rot. Bonds6

About N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide

N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 64598916) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID64598916
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOCC1CCN(CCC(=O)Nc2ccccc2C#N)C1
InChIInChI=1S/C16H21N3O2/c1-21-12-13-6-8-19(11-13)9-7-16(20)18-15-5-3-2-4-14(15)10-17/h2-5,13H,6-9,11-12H2,1H3,(H,18,20)
InChIKeySOQVCUHGQRFQKJ-UHFFFAOYSA-N
XLogP1.86
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
tert-butyl N-[[1-[3-(2-cyanoanilino)-3-oxopropyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56526436
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 111543866
N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 64571252
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide (CID 64598916) is N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide is COCC1CCN(CCC(=O)Nc2ccccc2C#N)C1.
What is the InChIKey of N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is SOQVCUHGQRFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-12-13-6-8-19(11-13)9-7-16(20)18-15-5-3-2-4-14(15)10-17/h2-5,13H,6-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 64598916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).