[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H26FN5O — CID 109229318

IUPAC[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCN(C)CCNc1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H26FN5O/c1-24(2)8-7-23-17-13-16(14-22-15-17)20(27)26-11-9-25(10-12-26)19-6-4-3-5-18(19)21/h3-6,13-15,23H,7-12H2,1-2H3
InChIKeyWJYHZPKRDAAKAP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.16
Rot. Bonds6

About [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109229318) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109229318
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCN(C)CCNc1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H26FN5O/c1-24(2)8-7-23-17-13-16(14-22-15-17)20(27)26-11-9-25(10-12-26)19-6-4-3-5-18(19)21/h3-6,13-15,23H,7-12H2,1-2H3
InChIKeyWJYHZPKRDAAKAP-UHFFFAOYSA-N
XLogP2.16
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106695
(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
CID 109229333
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229445
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069

Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109229318) is [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CN(C)CCNc1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WJYHZPKRDAAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-24(2)8-7-23-17-13-16(14-22-15-17)20(27)26-11-9-25(10-12-26)19-6-4-3-5-18(19)21/h3-6,13-15,23H,7-12H2,1-2H3.
What are the key properties of [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109229318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).