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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Related Compounds

3-[1-[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 67194874
3-[1-[5-(2-phenylethynyl)pyridine-3-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide;hydrochloride
CID 67196552
3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide
CID 67195128
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 18382168
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one
CID 67193559
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 15860387
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167129
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481

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).