N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C19H25N5 — CID 111263895

IUPACN-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\Cc1cnn(C)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H25N5/c1-3-20-19(21-13-16-14-22-23(2)15-16)24-11-9-18(10-12-24)17-7-5-4-6-8-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,20,21)
InChIKeySEMUIMOKMNISQM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111263895) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID111263895
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\Cc1cnn(C)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H25N5/c1-3-20-19(21-13-16-14-22-23(2)15-16)24-11-9-18(10-12-24)17-7-5-4-6-8-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,20,21)
InChIKeySEMUIMOKMNISQM-UHFFFAOYSA-N
XLogP2.67
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264045
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263359
N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263987
N-ethyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263362
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427545
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263382
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263793
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263811
N-[3-[[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111263668
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264039
N-tert-butyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263370
2-(dimethylamino)-N-[3-[[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111263426

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111263895) is N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCN/C(=N\Cc1cnn(C)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is SEMUIMOKMNISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-20-19(21-13-16-14-22-23(2)15-16)24-11-9-18(10-12-24)17-7-5-4-6-8-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,20,21).
What are the key properties of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 323.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111263895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).