2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide

C24H25N7O — CID 89400152

About 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide

2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide (PubChem CID 89400152) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide.

Molecular Properties

• Compound Name: 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide
• PubChem CID: 89400152
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide
• SMILES: C=N/C(=N\NN)c1ccccc1-c1ccc(CN2C(=O)CCc3c(C)nc(C)nc32)cc1
• InChI: InChI=1S/C24H25N7O/c1-15-19-12-13-22(32)31(24(19)28-16(2)27-15)14-17-8-10-18(11-9-17)20-6-4-5-7-21(20)23(26-3)29-30-25/h4-11,30H,3,12-14,25H2,1-2H3/b29-23-
• InChIKey: GZKDMQVSVIJUEK-FAJYDZGRSA-N
• XLogP: 3.07
• TPSA: 108.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide?

The IUPAC name of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide (CID 89400152) is 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide.

What is the SMILES notation for 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide?

The canonical SMILES for 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide is C=N/C(=N\NN)c1ccccc1-c1ccc(CN2C(=O)CCc3c(C)nc(C)nc32)cc1.

What is the InChIKey of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide?

The InChIKey is GZKDMQVSVIJUEK-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15-19-12-13-22(32)31(24(19)28-16(2)27-15)14-17-8-10-18(11-9-17)20-6-4-5-7-21(20)23(26-3)29-30-25/h4-11,30H,3,12-14,25H2,1-2H3/b29-23-.

What are the key properties of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide?

2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide has a molecular weight of 427.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]-N'-hydrazinyl-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 89400152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).