N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide

C20H25FN5O+ — CID 9015567

IUPACN-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide
SMILESCC[NH+]1CCN(c2ccc(/C(C)=N\NC(=O)c3ccccn3)cc2F)CC1
InChIInChI=1S/C20H24FN5O/c1-3-25-10-12-26(13-11-25)19-8-7-16(14-17(19)21)15(2)23-24-20(27)18-6-4-5-9-22-18/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)/p+1/b23-15-
InChIKeyNPSMVCAEMOJYIC-HAHDFKILSA-O
MW370.45 g/mol
LogP1.10
Rot. Bonds5

About N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide

N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide (PubChem CID 9015567) has the molecular formula C20H25FN5O+ and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide
PubChem CID9015567
Molecular FormulaC20H25FN5O+
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide
SMILESCC[NH+]1CCN(c2ccc(/C(C)=N\NC(=O)c3ccccn3)cc2F)CC1
InChIInChI=1S/C20H24FN5O/c1-3-25-10-12-26(13-11-25)19-8-7-16(14-17(19)21)15(2)23-24-20(27)18-6-4-5-9-22-18/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)/p+1/b23-15-
InChIKeyNPSMVCAEMOJYIC-HAHDFKILSA-O
XLogP1.10
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030019
N'-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179951
2-(2,5-dimethylphenoxy)-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]acetamide
CID 9256183
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]acetamide
CID 9256841
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 9174902
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 6941486
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 8971589
N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015535
N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026928

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide (CID 9015567) is N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide is CC[NH+]1CCN(c2ccc(/C(C)=N\NC(=O)c3ccccn3)cc2F)CC1.
What is the InChIKey of N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide?
The InChIKey is NPSMVCAEMOJYIC-HAHDFKILSA-O. The full InChI is InChI=1S/C20H24FN5O/c1-3-25-10-12-26(13-11-25)19-8-7-16(14-17(19)21)15(2)23-24-20(27)18-6-4-5-9-22-18/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)/p+1/b23-15-.
What are the key properties of N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide?
N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9015567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).