[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate

C24H34F3N5O — CID 167263124

IUPAC[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate
SMILESC=C(/N=C(\C=C/C)OC/C(=C(/N)c1ccc(CC2CCCCC2)c(C)n1)N(C)N)C(F)(F)F
InChIInChI=1S/C24H34F3N5O/c1-5-9-22(31-17(3)24(25,26)27)33-15-21(32(4)29)23(28)20-13-12-19(16(2)30-20)14-18-10-7-6-8-11-18/h5,9,12-13,18H,3,6-8,10-11,14-15,28-29H2,1-2,4H3/b9-5-,23-21-,31-22+
InChIKeyLYDVPGALGMGZIR-ASASNTLPSA-N
MW465.56 g/mol
LogP5.01
Rot. Bonds8

About [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate

[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate (PubChem CID 167263124) has the molecular formula C24H34F3N5O and a molecular weight of 465.56 g/mol. Its IUPAC name is [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate.

Molecular Properties

Compound Name[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate
PubChem CID167263124
Molecular FormulaC24H34F3N5O
Molecular Weight465.56 g/mol
Exact Mass465.27
IUPAC Name[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate
SMILESC=C(/N=C(\C=C/C)OC/C(=C(/N)c1ccc(CC2CCCCC2)c(C)n1)N(C)N)C(F)(F)F
InChIInChI=1S/C24H34F3N5O/c1-5-9-22(31-17(3)24(25,26)27)33-15-21(32(4)29)23(28)20-13-12-19(16(2)30-20)14-18-10-7-6-8-11-18/h5,9,12-13,18H,3,6-8,10-11,14-15,28-29H2,1-2,4H3/b9-5-,23-21-,31-22+
InChIKeyLYDVPGALGMGZIR-ASASNTLPSA-N
XLogP5.01
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate 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 [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate?
The IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate (CID 167263124) is [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate.
What is the SMILES notation for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate?
The canonical SMILES for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate is C=C(/N=C(\C=C/C)OC/C(=C(/N)c1ccc(CC2CCCCC2)c(C)n1)N(C)N)C(F)(F)F.
What is the InChIKey of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate?
The InChIKey is LYDVPGALGMGZIR-ASASNTLPSA-N. The full InChI is InChI=1S/C24H34F3N5O/c1-5-9-22(31-17(3)24(25,26)27)33-15-21(32(4)29)23(28)20-13-12-19(16(2)30-20)14-18-10-7-6-8-11-18/h5,9,12-13,18H,3,6-8,10-11,14-15,28-29H2,1-2,4H3/b9-5-,23-21-,31-22+.
What are the key properties of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate?
[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate has a molecular weight of 465.56 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]prop-2-enyl] (Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enimidate is sourced from PubChem (CID 167263124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).