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

C17H18F2N4O — CID 109230234

IUPAC[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C17H18F2N4O/c1-22-4-6-23(7-5-22)17(24)12-8-14(11-20-10-12)21-13-2-3-15(18)16(19)9-13/h2-3,8-11,21H,4-7H2,1H3
InChIKeyYOHMPDRNPGQCIK-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.49
Rot. Bonds3

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

[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230234) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230234
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C17H18F2N4O/c1-22-4-6-23(7-5-22)17(24)12-8-14(11-20-10-12)21-13-2-3-15(18)16(19)9-13/h2-3,8-11,21H,4-7H2,1H3
InChIKeyYOHMPDRNPGQCIK-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713
N-[4-[[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109230186
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
4-[5-(3-chloro-4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230809
[5-(2,6-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230222
5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109104830
[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230137
(4-methylpiperazin-1-yl)-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109230180

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230234) is [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)CC1.
What is the InChIKey of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YOHMPDRNPGQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-22-4-6-23(7-5-22)17(24)12-8-14(11-20-10-12)21-13-2-3-15(18)16(19)9-13/h2-3,8-11,21H,4-7H2,1H3.
What are the key properties of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 332.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).