[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C17H18F2N4O — CID 68540113

IUPAC[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESCc1cc(N)cnc1N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H18F2N4O/c1-11-9-12(20)10-21-16(11)22-5-7-23(8-6-22)17(24)15-13(18)3-2-4-14(15)19/h2-4,9-10H,5-8,20H2,1H3
InChIKeyLNUWQMRMBPZRMD-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.21
Rot. Bonds2

About [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 68540113) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID68540113
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESCc1cc(N)cnc1N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H18F2N4O/c1-11-9-12(20)10-21-16(11)22-5-7-23(8-6-22)17(24)15-13(18)3-2-4-14(15)19/h2-4,9-10H,5-8,20H2,1H3
InChIKeyLNUWQMRMBPZRMD-UHFFFAOYSA-N
XLogP2.21
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-methylphenyl)-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626677
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
ethyl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470034
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
3-[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-2,6-difluorophenol;formaldehyde
CID 68535270
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
CID 71252543
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133359775
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 71252546
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67382286
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 136531644

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 68540113) is [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is Cc1cc(N)cnc1N1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is LNUWQMRMBPZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-11-9-12(20)10-21-16(11)22-5-7-23(8-6-22)17(24)15-13(18)3-2-4-14(15)19/h2-4,9-10H,5-8,20H2,1H3.
What are the key properties of [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 332.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 68540113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).