2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide

C17H18F2N4O — CID 86992589

IUPAC2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CC1
InChIInChI=1S/C17H18F2N4O/c1-22-7-9-23(10-8-22)12-5-6-15(20-11-12)21-17(24)16-13(18)3-2-4-14(16)19/h2-6,11H,7-10H2,1H3,(H,20,21,24)
InChIKeyAVLFVMPWMPPUNC-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.36
Rot. Bonds3

About 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide

2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide (PubChem CID 86992589) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
PubChem CID86992589
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CC1
InChIInChI=1S/C17H18F2N4O/c1-22-7-9-23(10-8-22)12-5-6-15(20-11-12)21-17(24)16-13(18)3-2-4-14(16)19/h2-6,11H,7-10H2,1H3,(H,20,21,24)
InChIKeyAVLFVMPWMPPUNC-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60517539
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
1-[(3-fluorophenyl)methyl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]triazole-4-carboxamide
CID 75468783
(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 94146394
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 87019386
2,6-difluoro-N-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]propanoyl]-2H-pyrrol-4-yl]benzamide
CID 58094701
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
4-[(2,6-difluorobenzoyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 59733451
5-(furan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
CID 86992665

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide (CID 86992589) is 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide is CN1CCN(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CC1.
What is the InChIKey of 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is AVLFVMPWMPPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-22-7-9-23(10-8-22)12-5-6-15(20-11-12)21-17(24)16-13(18)3-2-4-14(16)19/h2-6,11H,7-10H2,1H3,(H,20,21,24).
What are the key properties of 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 332.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 86992589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).