2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide

C17H23N3O — CID 63273982

IUPAC2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide
SMILESCN1CCC(CN(C)C(=O)C(C#N)Cc2ccccc2)C1
InChIInChI=1S/C17H23N3O/c1-19-9-8-15(12-19)13-20(2)17(21)16(11-18)10-14-6-4-3-5-7-14/h3-7,15-16H,8-10,12-13H2,1-2H3
InChIKeyZFGCKLDPKIAYNI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.78
Rot. Bonds5

About 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide

2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide (PubChem CID 63273982) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide
PubChem CID63273982
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide
SMILESCN1CCC(CN(C)C(=O)C(C#N)Cc2ccccc2)C1
InChIInChI=1S/C17H23N3O/c1-19-9-8-15(12-19)13-20(2)17(21)16(11-18)10-14-6-4-3-5-7-14/h3-7,15-16H,8-10,12-13H2,1-2H3
InChIKeyZFGCKLDPKIAYNI-UHFFFAOYSA-N
XLogP1.78
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-benzyl-3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 63979587
2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide
CID 82737962
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
3-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 64894600
(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide
CID 95614948

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide (CID 63273982) is 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide is CN1CCC(CN(C)C(=O)C(C#N)Cc2ccccc2)C1.
What is the InChIKey of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is ZFGCKLDPKIAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-9-8-15(12-19)13-20(2)17(21)16(11-18)10-14-6-4-3-5-7-14/h3-7,15-16H,8-10,12-13H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide?
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 63273982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).