N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide

C22H26N4O4 — CID 121107606

IUPACN'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H26N4O4/c1-15-3-4-19(30-2)18(13-15)25-21(28)20(27)24-14-16-7-11-26(12-8-16)22(29)17-5-9-23-10-6-17/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZBTCSTZHZOHNIS-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.01
Rot. Bonds5

About N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide

N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 121107606) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID121107606
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H26N4O4/c1-15-3-4-19(30-2)18(13-15)25-21(28)20(27)24-14-16-7-11-26(12-8-16)22(29)17-5-9-23-10-6-17/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZBTCSTZHZOHNIS-UHFFFAOYSA-N
XLogP2.01
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.01
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'-(2-methoxy-5-methylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107842
N'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
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
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698
N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786297
N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044952
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107619
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 90521938
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081755

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (CID 121107606) is N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is ZBTCSTZHZOHNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-3-4-19(30-2)18(13-15)25-21(28)20(27)24-14-16-7-11-26(12-8-16)22(29)17-5-9-23-10-6-17/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 410.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 121107606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).