N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine

C17H19N3 — CID 170184580

IUPACN-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine
SMILESC/C=C(\N=C\C)c1cc(Cc2ccc(C)nc2)ccn1
InChIInChI=1S/C17H19N3/c1-4-16(18-5-2)17-11-14(8-9-19-17)10-15-7-6-13(3)20-12-15/h4-9,11-12H,10H2,1-3H3/b16-4-,18-5+
InChIKeyXHWQKPWAYHKGDH-HAVGLPMNSA-N
MW265.36 g/mol
LogP3.83
Rot. Bonds4

About N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine

N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine (PubChem CID 170184580) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine
PubChem CID170184580
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine
SMILESC/C=C(\N=C\C)c1cc(Cc2ccc(C)nc2)ccn1
InChIInChI=1S/C17H19N3/c1-4-16(18-5-2)17-11-14(8-9-19-17)10-15-7-6-13(3)20-12-15/h4-9,11-12H,10H2,1-3H3/b16-4-,18-5+
InChIKeyXHWQKPWAYHKGDH-HAVGLPMNSA-N
XLogP3.83
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine (CID 170184580) is N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine is C/C=C(\N=C\C)c1cc(Cc2ccc(C)nc2)ccn1.
What is the InChIKey of N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine?
The InChIKey is XHWQKPWAYHKGDH-HAVGLPMNSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-16(18-5-2)17-11-14(8-9-19-17)10-15-7-6-13(3)20-12-15/h4-9,11-12H,10H2,1-3H3/b16-4-,18-5+.
What are the key properties of N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine?
N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine has a molecular weight of 265.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine is sourced from PubChem (CID 170184580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).