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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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).