2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide

C26H34FN5O2 — CID 143987725

IUPAC2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide
SMILESC=C(F)/C=C\C(=CC)NCC(=O)NC1=NCCC/C1=C\C/C=C\C(=C(/C)OC)n1cnc(C)c1
InChIInChI=1S/C26H34FN5O2/c1-6-23(14-13-19(2)27)29-16-25(33)31-26-22(11-9-15-28-26)10-7-8-12-24(21(4)34-5)32-17-20(3)30-18-32/h6,8,10,12-14,17-18,29H,2,7,9,11,15-16H2,1,3-5H3,(H,28,31,33)/b12-8-,14-13-,22-10+,23-6?,24-21-
InChIKeyKPKOPCLRIKUEET-OEEUIHOISA-N
MW467.59 g/mol
LogP4.74
Rot. Bonds10

About 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide

2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide (PubChem CID 143987725) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide
PubChem CID143987725
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide
SMILESC=C(F)/C=C\C(=CC)NCC(=O)NC1=NCCC/C1=C\C/C=C\C(=C(/C)OC)n1cnc(C)c1
InChIInChI=1S/C26H34FN5O2/c1-6-23(14-13-19(2)27)29-16-25(33)31-26-22(11-9-15-28-26)10-7-8-12-24(21(4)34-5)32-17-20(3)30-18-32/h6,8,10,12-14,17-18,29H,2,7,9,11,15-16H2,1,3-5H3,(H,28,31,33)/b12-8-,14-13-,22-10+,23-6?,24-21-
InChIKeyKPKOPCLRIKUEET-OEEUIHOISA-N
XLogP4.74
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide 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-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide?
The IUPAC name of 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide (CID 143987725) is 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide.
What is the SMILES notation for 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide?
The canonical SMILES for 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide is C=C(F)/C=C\C(=CC)NCC(=O)NC1=NCCC/C1=C\C/C=C\C(=C(/C)OC)n1cnc(C)c1.
What is the InChIKey of 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide?
The InChIKey is KPKOPCLRIKUEET-OEEUIHOISA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-6-23(14-13-19(2)27)29-16-25(33)31-26-22(11-9-15-28-26)10-7-8-12-24(21(4)34-5)32-17-20(3)30-18-32/h6,8,10,12-14,17-18,29H,2,7,9,11,15-16H2,1,3-5H3,(H,28,31,33)/b12-8-,14-13-,22-10+,23-6?,24-21-.
What are the key properties of 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide?
2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4Z)-6-fluorohepta-2,4,6-trien-3-yl]amino]-N-[(5E)-5-[(3Z,5Z)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-3,5-dienylidene]-3,4-dihydro-2H-pyridin-6-yl]acetamide is sourced from PubChem (CID 143987725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).