5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one

C22H27FN4O — CID 172936833

IUPAC5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one
SMILESC=C/C(=N\Nc1ccc(=O)n(CCC)c1)c1cnc(CC2CCCC2)cc1F
InChIInChI=1S/C22H27FN4O/c1-3-11-27-15-17(9-10-22(27)28)25-26-21(4-2)19-14-24-18(13-20(19)23)12-16-7-5-6-8-16/h4,9-10,13-16,25H,2-3,5-8,11-12H2,1H3/b26-21+
InChIKeyDONHRTOSWRDZBB-YYADALCUSA-N
MW382.48 g/mol
LogP4.53
Rot. Bonds8

About 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one

5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one (PubChem CID 172936833) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one
PubChem CID172936833
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one
SMILESC=C/C(=N\Nc1ccc(=O)n(CCC)c1)c1cnc(CC2CCCC2)cc1F
InChIInChI=1S/C22H27FN4O/c1-3-11-27-15-17(9-10-22(27)28)25-26-21(4-2)19-14-24-18(13-20(19)23)12-16-7-5-6-8-16/h4,9-10,13-16,25H,2-3,5-8,11-12H2,1H3/b26-21+
InChIKeyDONHRTOSWRDZBB-YYADALCUSA-N
XLogP4.53
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743
6-(4-fluorophenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811496
3-[4-(5-Pentyl-2-pyridinyl)phenyl]acrylamide
CID 2288424
6-Pyridin-2-ylmethyl-pyridazin-3-ol
CID 3580136
5-Pentyl-deca-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14547304
1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
N-(2,4-difluorobenzyl)-3-oxo-6-(pyridin-4-yl)-2,3-dihydropyridazine-4-carboxamide
CID 45272910
6-(3,5-difluorophenyl)-2-[3-(5-methylpyridin-2-yl)benzyl]-2H-pyridazin-3-one
CID 59484894
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyridylmethyl)-1H-pyridin-2-one
CID 486868
3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3241660
N'-{1-[4-(dimethylamino)phenyl]ethylidene}isonicotinohydrazide
CID 5399299

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one?
The IUPAC name of 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one (CID 172936833) is 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one is C=C/C(=N\Nc1ccc(=O)n(CCC)c1)c1cnc(CC2CCCC2)cc1F.
What is the InChIKey of 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one?
The InChIKey is DONHRTOSWRDZBB-YYADALCUSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-3-11-27-15-17(9-10-22(27)28)25-26-21(4-2)19-14-24-18(13-20(19)23)12-16-7-5-6-8-16/h4,9-10,13-16,25H,2-3,5-8,11-12H2,1H3/b26-21+.
What are the key properties of 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one?
5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one has a molecular weight of 382.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one is sourced from PubChem (CID 172936833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).