N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide

C17H23N3O — CID 63143620

IUPACN-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCNC1
InChIInChI=1S/C17H23N3O/c1-3-10-20(16(21)17(2)8-9-19-13-17)12-15-6-4-14(11-18)5-7-15/h4-7,19H,3,8-10,12-13H2,1-2H3
InChIKeyUBDBFDCVRRHVLY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide

N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 63143620) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
PubChem CID63143620
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCNC1
InChIInChI=1S/C17H23N3O/c1-3-10-20(16(21)17(2)8-9-19-13-17)12-15-6-4-14(11-18)5-7-15/h4-7,19H,3,8-10,12-13H2,1-2H3
InChIKeyUBDBFDCVRRHVLY-UHFFFAOYSA-N
XLogP2.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119690228
N-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956
methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
CID 63143757
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide (CID 63143620) is N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCNC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is UBDBFDCVRRHVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-20(16(21)17(2)8-9-19-13-17)12-15-6-4-14(11-18)5-7-15/h4-7,19H,3,8-10,12-13H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).