3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide

C24H22N4O — CID 67193188

IUPAC3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C2=CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)c1
InChIInChI=1S/C24H22N4O/c25-23(26)22-3-1-2-21(16-22)19-10-14-28(15-11-19)24(29)20-6-4-17(5-7-20)18-8-12-27-13-9-18/h1-10,12-13,16H,11,14-15H2,(H3,25,26)
InChIKeyFJBYRUQMQFEGHM-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.96
Rot. Bonds4

About 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide

3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide (PubChem CID 67193188) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide
PubChem CID67193188
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C2=CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)c1
InChIInChI=1S/C24H22N4O/c25-23(26)22-3-1-2-21(16-22)19-10-14-28(15-11-19)24(29)20-6-4-17(5-7-20)18-8-12-27-13-9-18/h1-10,12-13,16H,11,14-15H2,(H3,25,26)
InChIKeyFJBYRUQMQFEGHM-UHFFFAOYSA-N
XLogP3.96
TPSA83.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide?
The IUPAC name of 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide (CID 67193188) is 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide?
The canonical SMILES for 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C2=CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)c1.
What is the InChIKey of 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide?
The InChIKey is FJBYRUQMQFEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c25-23(26)22-3-1-2-21(16-22)19-10-14-28(15-11-19)24(29)20-6-4-17(5-7-20)18-8-12-27-13-9-18/h1-10,12-13,16H,11,14-15H2,(H3,25,26).
What are the key properties of 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide?
3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide has a molecular weight of 382.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-pyridin-4-ylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 67193188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).