N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide

C14H17N3O — CID 63005731

IUPACN-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1CCNC1
InChIInChI=1S/C14H17N3O/c15-7-9-17(11-12-4-2-1-3-5-12)14(18)13-6-8-16-10-13/h1-5,13,16H,6,8-11H2
InChIKeyCYOPVIFQKOTCLK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.15
Rot. Bonds4

About N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide

N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide (PubChem CID 63005731) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
PubChem CID63005731
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1CCNC1
InChIInChI=1S/C14H17N3O/c15-7-9-17(11-12-4-2-1-3-5-12)14(18)13-6-8-16-10-13/h1-5,13,16H,6,8-11H2
InChIKeyCYOPVIFQKOTCLK-UHFFFAOYSA-N
XLogP1.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119782435
N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide
CID 63875533
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide (CID 63005731) is N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide is N#CCN(Cc1ccccc1)C(=O)C1CCNC1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide?
The InChIKey is CYOPVIFQKOTCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-7-9-17(11-12-4-2-1-3-5-12)14(18)13-6-8-16-10-13/h1-5,13,16H,6,8-11H2.
What are the key properties of N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide?
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).