2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine

C25H33N7 — CID 129035487

IUPAC2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine
SMILESC=N/C(=N/C(=C\C)c1ccc(N(C)C)nc1)Nc1ccc(N2CC3CC2CN3C)c(C)c1
InChIInChI=1S/C25H33N7/c1-7-22(18-8-11-24(27-14-18)30(4)5)29-25(26-3)28-19-9-10-23(17(2)12-19)32-16-20-13-21(32)15-31(20)6/h7-12,14,20-21H,3,13,15-16H2,1-2,4-6H3,(H,28,29)/b22-7-
InChIKeyDAVYVFXMRDKFBN-HOEBFWFUSA-N
MW431.59 g/mol
LogP3.88
Rot. Bonds5

About 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine

2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine (PubChem CID 129035487) has the molecular formula C25H33N7 and a molecular weight of 431.59 g/mol. Its IUPAC name is 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine
PubChem CID129035487
Molecular FormulaC25H33N7
Molecular Weight431.59 g/mol
Exact Mass431.28
IUPAC Name2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine
SMILESC=N/C(=N/C(=C\C)c1ccc(N(C)C)nc1)Nc1ccc(N2CC3CC2CN3C)c(C)c1
InChIInChI=1S/C25H33N7/c1-7-22(18-8-11-24(27-14-18)30(4)5)29-25(26-3)28-19-9-10-23(17(2)12-19)32-16-20-13-21(32)15-31(20)6/h7-12,14,20-21H,3,13,15-16H2,1-2,4-6H3,(H,28,29)/b22-7-
InChIKeyDAVYVFXMRDKFBN-HOEBFWFUSA-N
XLogP3.88
TPSA59.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine?
The IUPAC name of 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine (CID 129035487) is 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine.
What is the SMILES notation for 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine?
The canonical SMILES for 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine is C=N/C(=N/C(=C\C)c1ccc(N(C)C)nc1)Nc1ccc(N2CC3CC2CN3C)c(C)c1.
What is the InChIKey of 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine?
The InChIKey is DAVYVFXMRDKFBN-HOEBFWFUSA-N. The full InChI is InChI=1S/C25H33N7/c1-7-22(18-8-11-24(27-14-18)30(4)5)29-25(26-3)28-19-9-10-23(17(2)12-19)32-16-20-13-21(32)15-31(20)6/h7-12,14,20-21H,3,13,15-16H2,1-2,4-6H3,(H,28,29)/b22-7-.
What are the key properties of 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine?
2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine has a molecular weight of 431.59 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[6-(dimethylamino)-3-pyridinyl]prop-1-enyl]-1-methylidene-3-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]guanidine is sourced from PubChem (CID 129035487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).