cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate

C21H25N5O2 — CID 123267014

IUPACcyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])C1CC1)c1cc(-c2cccc(CN3CCOCC3)c2)cnc1N
InChIInChI=1S/C21H25N5O2/c22-19-18(21(24)28-20(23)15-4-5-15)11-17(12-25-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15,23-24H,4-9,13H2,(H2,22,25)/b23-20+,24-21-
InChIKeyVJNPDGSRSAIJIO-PQBHCXAESA-N
MW379.46 g/mol
LogP2.89
Rot. Bonds5

About cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate

cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate (PubChem CID 123267014) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate.

Molecular Properties

Compound Namecyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate
PubChem CID123267014
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Namecyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])C1CC1)c1cc(-c2cccc(CN3CCOCC3)c2)cnc1N
InChIInChI=1S/C21H25N5O2/c22-19-18(21(24)28-20(23)15-4-5-15)11-17(12-25-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15,23-24H,4-9,13H2,(H2,22,25)/b23-20+,24-21-
InChIKeyVJNPDGSRSAIJIO-PQBHCXAESA-N
XLogP2.89
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate?
The IUPAC name of cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate (CID 123267014) is cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate.
What is the SMILES notation for cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate?
The canonical SMILES for cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate is [H]/N=C(\O/C(=N/[H])C1CC1)c1cc(-c2cccc(CN3CCOCC3)c2)cnc1N.
What is the InChIKey of cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate?
The InChIKey is VJNPDGSRSAIJIO-PQBHCXAESA-N. The full InChI is InChI=1S/C21H25N5O2/c22-19-18(21(24)28-20(23)15-4-5-15)11-17(12-25-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15,23-24H,4-9,13H2,(H2,22,25)/b23-20+,24-21-.
What are the key properties of cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate?
cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate has a molecular weight of 379.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboximidoyl 2-amino-5-[3-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboximidate is sourced from PubChem (CID 123267014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).