N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide

C20H20F2N4O3 — CID 90520998

IUPACN'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H20F2N4O3/c21-15-3-4-16(22)17(10-15)25-19(28)18(27)24-11-13-5-8-26(9-6-13)20(29)14-2-1-7-23-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,24,27)(H,25,28)
InChIKeyZXEIGTRLHPFNGV-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.97
Rot. Bonds4

About N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide

N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 90520998) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID90520998
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC NameN'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H20F2N4O3/c21-15-3-4-16(22)17(10-15)25-19(28)18(27)24-11-13-5-8-26(9-6-13)20(29)14-2-1-7-23-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,24,27)(H,25,28)
InChIKeyZXEIGTRLHPFNGV-UHFFFAOYSA-N
XLogP1.97
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.97
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'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
N'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786323
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
N'-(2-methyl-4-nitrophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521019
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (CID 90520998) is N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is ZXEIGTRLHPFNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c21-15-3-4-16(22)17(10-15)25-19(28)18(27)24-11-13-5-8-26(9-6-13)20(29)14-2-1-7-23-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,24,27)(H,25,28).
What are the key properties of N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 402.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 90520998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).