6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide

C19H21N5O — CID 122590704

IUPAC6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1cccc(C(=O)NC2CCN(C#N)C2)n1
InChIInChI=1S/C19H21N5O/c1-23(12-15-6-3-2-4-7-15)18-9-5-8-17(22-18)19(25)21-16-10-11-24(13-16)14-20/h2-9,16H,10-13H2,1H3,(H,21,25)
InChIKeyMURCJUZFRZIJMS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.00
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide

6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 122590704) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID122590704
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1cccc(C(=O)NC2CCN(C#N)C2)n1
InChIInChI=1S/C19H21N5O/c1-23(12-15-6-3-2-4-7-15)18-9-5-8-17(22-18)19(25)21-16-10-11-24(13-16)14-20/h2-9,16H,10-13H2,1H3,(H,21,25)
InChIKeyMURCJUZFRZIJMS-UHFFFAOYSA-N
XLogP2.00
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide (CID 122590704) is 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide is CN(Cc1ccccc1)c1cccc(C(=O)NC2CCN(C#N)C2)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is MURCJUZFRZIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(12-15-6-3-2-4-7-15)18-9-5-8-17(22-18)19(25)21-16-10-11-24(13-16)14-20/h2-9,16H,10-13H2,1H3,(H,21,25).
What are the key properties of 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide?
6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(1-cyanopyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122590704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).