(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide

C15H18FN3O — CID 145084850

IUPAC(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide
SMILESC=C(N)/C=C\C(=C)/C=C(\F)C(=O)NC(=C)/C=C\C(=C)N
InChIInChI=1S/C15H18FN3O/c1-10(5-6-11(2)17)9-14(16)15(20)19-13(4)8-7-12(3)18/h5-9H,1-4,17-18H2,(H,19,20)/b6-5-,8-7-,14-9-
InChIKeyPIQVLZFLIGSYMU-NROSIVHLSA-N
MW275.33 g/mol
LogP2.08
Rot. Bonds7

About (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide

(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide (PubChem CID 145084850) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide.

Molecular Properties

Compound Name(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide
PubChem CID145084850
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide
SMILESC=C(N)/C=C\C(=C)/C=C(\F)C(=O)NC(=C)/C=C\C(=C)N
InChIInChI=1S/C15H18FN3O/c1-10(5-6-11(2)17)9-14(16)15(20)19-13(4)8-7-12(3)18/h5-9H,1-4,17-18H2,(H,19,20)/b6-5-,8-7-,14-9-
InChIKeyPIQVLZFLIGSYMU-NROSIVHLSA-N
XLogP2.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide with MolForge

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Launch Full Analysis

Related Compounds

6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343
5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
CID 69388423
(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one
CID 89207139
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129
2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide
CID 138502475
5-fluoro-4,6-dimethyl-1H-pyridin-2-one
CID 140316101
ethane;N-[(2E,4E)-1,1,1-trifluoro-2-methylhepta-2,4-dien-4-yl]acetamide
CID 142113177
7-[[(Z,2Z)-2-(1-fluoroprop-2-enylidene)hex-3-enoyl]amino]cyclohepta-1,4,6-triene-1-carboxamide
CID 142940554
6-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-4-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyridin-2-one
CID 143235133
(Z)-N-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]hex-2-enamide
CID 144372571
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane
CID 144610104
N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 144756165

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide?
The IUPAC name of (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide (CID 145084850) is (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide.
What is the SMILES notation for (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide?
The canonical SMILES for (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide is C=C(N)/C=C\C(=C)/C=C(\F)C(=O)NC(=C)/C=C\C(=C)N.
What is the InChIKey of (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide?
The InChIKey is PIQVLZFLIGSYMU-NROSIVHLSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(5-6-11(2)17)9-14(16)15(20)19-13(4)8-7-12(3)18/h5-9H,1-4,17-18H2,(H,19,20)/b6-5-,8-7-,14-9-.
What are the key properties of (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide?
(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide has a molecular weight of 275.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide is sourced from PubChem (CID 145084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).