N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide

C33H33FN4O — CID 167082855

IUPACN-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide
SMILESC=CC(/C=C\C=C(C)\C(=C\Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)c(F)c1)c1ncncc1C)=C/C
InChIInChI=1S/C33H33FN4O/c1-5-24(6-2)9-7-8-22(3)28(32-23(4)20-35-21-37-32)14-10-25-11-15-29(30(34)18-25)33(39)38-31-19-27(16-17-36-31)26-12-13-26/h5-9,11,14-21,26H,1,10,12-13H2,2-4H3,(H,36,38,39)/b9-7-,22-8+,24-6-,28-14-
InChIKeyFRQULZSVNOBNGQ-HPYNDLCZSA-N
MW520.65 g/mol
LogP7.71
Rot. Bonds10

About N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide

N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide (PubChem CID 167082855) has the molecular formula C33H33FN4O and a molecular weight of 520.65 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide
PubChem CID167082855
Molecular FormulaC33H33FN4O
Molecular Weight520.65 g/mol
Exact Mass520.26
IUPAC NameN-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide
SMILESC=CC(/C=C\C=C(C)\C(=C\Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)c(F)c1)c1ncncc1C)=C/C
InChIInChI=1S/C33H33FN4O/c1-5-24(6-2)9-7-8-22(3)28(32-23(4)20-35-21-37-32)14-10-25-11-15-29(30(34)18-25)33(39)38-31-19-27(16-17-36-31)26-12-13-26/h5-9,11,14-21,26H,1,10,12-13H2,2-4H3,(H,36,38,39)/b9-7-,22-8+,24-6-,28-14-
InChIKeyFRQULZSVNOBNGQ-HPYNDLCZSA-N
XLogP7.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide?
The IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide (CID 167082855) is N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide.
What is the SMILES notation for N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide?
The canonical SMILES for N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide is C=CC(/C=C\C=C(C)\C(=C\Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)c(F)c1)c1ncncc1C)=C/C.
What is the InChIKey of N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide?
The InChIKey is FRQULZSVNOBNGQ-HPYNDLCZSA-N. The full InChI is InChI=1S/C33H33FN4O/c1-5-24(6-2)9-7-8-22(3)28(32-23(4)20-35-21-37-32)14-10-25-11-15-29(30(34)18-25)33(39)38-31-19-27(16-17-36-31)26-12-13-26/h5-9,11,14-21,26H,1,10,12-13H2,2-4H3,(H,36,38,39)/b9-7-,22-8+,24-6-,28-14-.
What are the key properties of N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide?
N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide has a molecular weight of 520.65 g/mol, XLogP of 7.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-pyridinyl)-4-[(2Z,4E,6Z,8Z)-8-ethenyl-4-methyl-3-(5-methylpyrimidin-4-yl)deca-2,4,6,8-tetraenyl]-2-fluorobenzamide is sourced from PubChem (CID 167082855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).