N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

C19H21N5O — CID 78905688

IUPACN'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
SMILESN#Cc1ccccc1CON=C(N)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H21N5O/c20-13-15-7-2-3-8-16(15)14-25-23-18(21)17-9-6-10-22-19(17)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12,14H2,(H2,21,23)
InChIKeyBNQGBANIGQBQIY-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.78
Rot. Bonds5

About N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide (PubChem CID 78905688) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
PubChem CID78905688
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
SMILESN#Cc1ccccc1CON=C(N)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H21N5O/c20-13-15-7-2-3-8-16(15)14-25-23-18(21)17-9-6-10-22-19(17)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12,14H2,(H2,21,23)
InChIKeyBNQGBANIGQBQIY-UHFFFAOYSA-N
XLogP2.78
TPSA87.53 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The IUPAC name of N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide (CID 78905688) is N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The canonical SMILES for N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide is N#Cc1ccccc1CON=C(N)c1cccnc1N1CCCCC1.
What is the InChIKey of N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The InChIKey is BNQGBANIGQBQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-13-15-7-2-3-8-16(15)14-25-23-18(21)17-9-6-10-22-19(17)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12,14H2,(H2,21,23).
What are the key properties of N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide has a molecular weight of 335.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 78905688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).