N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide

C23H26FN5O3 — CID 169115640

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCN(C(=O)C3(C)CC3)CC2c2ccc(F)cc2)cnc1N
InChIInChI=1S/C23H26FN5O3/c1-14-11-17(12-26-19(14)25)27-20(30)21(31)29-10-9-28(22(32)23(2)7-8-23)13-18(29)15-3-5-16(24)6-4-15/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,25,26)(H,27,30)
InChIKeyDHSVCXHILQQINX-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.26
Rot. Bonds3

About N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 169115640) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID169115640
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCN(C(=O)C3(C)CC3)CC2c2ccc(F)cc2)cnc1N
InChIInChI=1S/C23H26FN5O3/c1-14-11-17(12-26-19(14)25)27-20(30)21(31)29-10-9-28(22(32)23(2)7-8-23)13-18(29)15-3-5-16(24)6-4-15/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,25,26)(H,27,30)
InChIKeyDHSVCXHILQQINX-UHFFFAOYSA-N
XLogP2.26
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide
CID 169115833
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide
CID 175637335
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidin-1-yl]-2-oxoacetamide
CID 164752533
N-(6-amino-5-methyl-3-pyridinyl)-2-[(4S,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidin-1-yl]-2-oxoacetamide
CID 167033524
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-chloro-4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide
CID 169115772
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033401
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 171600987
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 175637266
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-4-(1-methylcyclopropanecarbonyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115747

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide (CID 169115640) is N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C3(C)CC3)CC2c2ccc(F)cc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is DHSVCXHILQQINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-14-11-17(12-26-19(14)25)27-20(30)21(31)29-10-9-28(22(32)23(2)7-8-23)13-18(29)15-3-5-16(24)6-4-15/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,25,26)(H,27,30).
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 439.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).