N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide

C20H22FN7O — CID 153359338

IUPACN-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(/C(N)=N/N)n2)cc1C(=C/N)/C=N/C1CC1
InChIInChI=1S/C20H22FN7O/c1-11-7-16(21)15(8-14(11)12(9-22)10-25-13-5-6-13)20(29)27-18-4-2-3-17(26-18)19(23)28-24/h2-4,7-10,13H,5-6,22,24H2,1H3,(H2,23,28)(H,26,27,29)/b12-9+,25-10+
InChIKeyQPSZJFKPKMCJBU-ZKNISXQMSA-N
MW395.44 g/mol
LogP1.89
Rot. Bonds6

About N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide

N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide (PubChem CID 153359338) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide
PubChem CID153359338
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC NameN-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(/C(N)=N/N)n2)cc1C(=C/N)/C=N/C1CC1
InChIInChI=1S/C20H22FN7O/c1-11-7-16(21)15(8-14(11)12(9-22)10-25-13-5-6-13)20(29)27-18-4-2-3-17(26-18)19(23)28-24/h2-4,7-10,13H,5-6,22,24H2,1H3,(H2,23,28)(H,26,27,29)/b12-9+,25-10+
InChIKeyQPSZJFKPKMCJBU-ZKNISXQMSA-N
XLogP1.89
TPSA144.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.89
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide (CID 153359338) is N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(/C(N)=N/N)n2)cc1C(=C/N)/C=N/C1CC1.
What is the InChIKey of N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is QPSZJFKPKMCJBU-ZKNISXQMSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-11-7-16(21)15(8-14(11)12(9-22)10-25-13-5-6-13)20(29)27-18-4-2-3-17(26-18)19(23)28-24/h2-4,7-10,13H,5-6,22,24H2,1H3,(H2,23,28)(H,26,27,29)/b12-9+,25-10+.
What are the key properties of N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide?
N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 395.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 153359338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).