N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide

C20H21FN4O3 — CID 121107584

IUPACN'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN4O3/c21-16-3-1-2-4-17(16)24-19(27)18(26)23-13-14-7-11-25(12-8-14)20(28)15-5-9-22-10-6-15/h1-6,9-10,14H,7-8,11-13H2,(H,23,26)(H,24,27)
InChIKeyQAGVFSVBVBDNGO-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.83
Rot. Bonds4

About N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide

N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 121107584) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID121107584
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN4O3/c21-16-3-1-2-4-17(16)24-19(27)18(26)23-13-14-7-11-25(12-8-14)20(28)15-5-9-22-10-6-15/h1-6,9-10,14H,7-8,11-13H2,(H,23,26)(H,24,27)
InChIKeyQAGVFSVBVBDNGO-UHFFFAOYSA-N
XLogP1.83
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786297
N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520998
N'-(2-fluorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886603
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606
N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786306
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107619
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (CID 121107584) is N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is QAGVFSVBVBDNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-16-3-1-2-4-17(16)24-19(27)18(26)23-13-14-7-11-25(12-8-14)20(28)15-5-9-22-10-6-15/h1-6,9-10,14H,7-8,11-13H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 384.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 121107584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).