N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C18H23N5O — CID 75512846

IUPACN-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\Cc1noc(C)n1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H23N5O/c1-3-19-18(20-13-17-21-14(2)24-22-17)23-11-9-16(10-12-23)15-7-5-4-6-8-15/h4-9H,3,10-13H2,1-2H3,(H,19,20)
InChIKeyZINPILWXVDNXFW-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.63
Rot. Bonds4

About N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 75512846) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID75512846
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\Cc1noc(C)n1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H23N5O/c1-3-19-18(20-13-17-21-14(2)24-22-17)23-11-9-16(10-12-23)15-7-5-4-6-8-15/h4-9H,3,10-13H2,1-2H3,(H,19,20)
InChIKeyZINPILWXVDNXFW-UHFFFAOYSA-N
XLogP2.63
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 75512846) is N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCN/C(=N\Cc1noc(C)n1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is ZINPILWXVDNXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-19-18(20-13-17-21-14(2)24-22-17)23-11-9-16(10-12-23)15-7-5-4-6-8-15/h4-9H,3,10-13H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 325.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 75512846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).