[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C18H19F2N3O — CID 42845831

IUPAC[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cccc(F)c3F)c2)CC1
InChIInChI=1S/C18H19F2N3O/c1-2-22-6-8-23(9-7-22)18(24)14-10-13(11-21-12-14)15-4-3-5-16(19)17(15)20/h3-5,10-12H,2,6-9H2,1H3
InChIKeyCEIPBTHUCKYABL-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.80
Rot. Bonds3

About [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42845831) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42845831
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cccc(F)c3F)c2)CC1
InChIInChI=1S/C18H19F2N3O/c1-2-22-6-8-23(9-7-22)18(24)14-10-13(11-21-12-14)15-4-3-5-16(19)17(15)20/h3-5,10-12H,2,6-9H2,1H3
InChIKeyCEIPBTHUCKYABL-UHFFFAOYSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
CID 46032886
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
CID 118791120
[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230538
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109104558
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 42845831) is [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cncc(-c3cccc(F)c3F)c2)CC1.
What is the InChIKey of [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is CEIPBTHUCKYABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-2-22-6-8-23(9-7-22)18(24)14-10-13(11-21-12-14)15-4-3-5-16(19)17(15)20/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 331.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42845831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).