piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate

C19H23N5O — CID 123715530

IUPACpiperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])C1CCNCC1)c1cc(-c2ccc(C)cc2)cnc1N
InChIInChI=1S/C19H23N5O/c1-12-2-4-13(5-3-12)15-10-16(17(20)24-11-15)19(22)25-18(21)14-6-8-23-9-7-14/h2-5,10-11,14,21-23H,6-9H2,1H3,(H2,20,24)/b21-18+,22-19-
InChIKeyKTJMAONYCDEENX-UWTFAZPUSA-N
MW337.43 g/mol
LogP2.96
Rot. Bonds3

About piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate

piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate (PubChem CID 123715530) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate.

Molecular Properties

Compound Namepiperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate
PubChem CID123715530
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Namepiperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])C1CCNCC1)c1cc(-c2ccc(C)cc2)cnc1N
InChIInChI=1S/C19H23N5O/c1-12-2-4-13(5-3-12)15-10-16(17(20)24-11-15)19(22)25-18(21)14-6-8-23-9-7-14/h2-5,10-11,14,21-23H,6-9H2,1H3,(H2,20,24)/b21-18+,22-19-
InChIKeyKTJMAONYCDEENX-UWTFAZPUSA-N
XLogP2.96
TPSA107.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate?
The IUPAC name of piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate (CID 123715530) is piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate.
What is the SMILES notation for piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate?
The canonical SMILES for piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate is [H]/N=C(\O/C(=N/[H])C1CCNCC1)c1cc(-c2ccc(C)cc2)cnc1N.
What is the InChIKey of piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate?
The InChIKey is KTJMAONYCDEENX-UWTFAZPUSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-2-4-13(5-3-12)15-10-16(17(20)24-11-15)19(22)25-18(21)14-6-8-23-9-7-14/h2-5,10-11,14,21-23H,6-9H2,1H3,(H2,20,24)/b21-18+,22-19-.
What are the key properties of piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate?
piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate has a molecular weight of 337.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboximidoyl 2-amino-5-(4-methylphenyl)pyridine-3-carboximidate is sourced from PubChem (CID 123715530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).