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

C18H20F2N4O — CID 109186753

IUPAC[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C18H20F2N4O/c1-2-23-7-9-24(10-8-23)18(25)17-6-4-14(12-21-17)22-13-3-5-15(19)16(20)11-13/h3-6,11-12,22H,2,7-10H2,1H3
InChIKeyKHAWLFHFICKSIC-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.88
Rot. Bonds4

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

[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109186753) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109186753
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C18H20F2N4O/c1-2-23-7-9-24(10-8-23)18(25)17-6-4-14(12-21-17)22-13-3-5-15(19)16(20)11-13/h3-6,11-12,22H,2,7-10H2,1H3
InChIKeyKHAWLFHFICKSIC-UHFFFAOYSA-N
XLogP2.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302672
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184383
[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116714
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109186753) is [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)CC1.
What is the InChIKey of [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is KHAWLFHFICKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-2-23-7-9-24(10-8-23)18(25)17-6-4-14(12-21-17)22-13-3-5-15(19)16(20)11-13/h3-6,11-12,22H,2,7-10H2,1H3.
What are the key properties of [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 346.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).