2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C26H30FN5O2 — CID 143644344

IUPAC2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC/C=N/C=C(\CC)N1C(=O)C2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1c1ccccn1
InChIInChI=1S/C26H30FN5O2/c1-3-21(18-28-4-2)32-23(22-7-5-6-14-29-22)26(24(32)33)12-15-31(16-13-26)25(34)30-17-19-8-10-20(27)11-9-19/h4-11,14,18,23H,3,12-13,15-17H2,1-2H3,(H,30,34)/b21-18+,28-4+
InChIKeyADRXLNXICCHXQR-IPMJKXDOSA-N
MW463.56 g/mol
LogP4.44
Rot. Bonds6

About 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 143644344) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID143644344
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC/C=N/C=C(\CC)N1C(=O)C2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1c1ccccn1
InChIInChI=1S/C26H30FN5O2/c1-3-21(18-28-4-2)32-23(22-7-5-6-14-29-22)26(24(32)33)12-15-31(16-13-26)25(34)30-17-19-8-10-20(27)11-9-19/h4-11,14,18,23H,3,12-13,15-17H2,1-2H3,(H,30,34)/b21-18+,28-4+
InChIKeyADRXLNXICCHXQR-IPMJKXDOSA-N
XLogP4.44
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688489
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644299
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]acetamide
CID 24955070
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72873328
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043
7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 170858728

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 143644344) is 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is C/C=N/C=C(\CC)N1C(=O)C2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1c1ccccn1.
What is the InChIKey of 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is ADRXLNXICCHXQR-IPMJKXDOSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-3-21(18-28-4-2)32-23(22-7-5-6-14-29-22)26(24(32)33)12-15-31(16-13-26)25(34)30-17-19-8-10-20(27)11-9-19/h4-11,14,18,23H,3,12-13,15-17H2,1-2H3,(H,30,34)/b21-18+,28-4+.
What are the key properties of 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 143644344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).