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

C21H24N4O4 — CID 71786317

IUPACN'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H24N4O4/c1-29-18-7-3-2-6-17(18)24-20(27)19(26)23-13-15-8-11-25(12-9-15)21(28)16-5-4-10-22-14-16/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyRZFXZRXMDAEEPK-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.70
Rot. Bonds5

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

N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 71786317) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID71786317
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H24N4O4/c1-29-18-7-3-2-6-17(18)24-20(27)19(26)23-13-15-8-11-25(12-9-15)21(28)16-5-4-10-22-14-16/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyRZFXZRXMDAEEPK-UHFFFAOYSA-N
XLogP1.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.70
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'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520998
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 90521463
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90521505
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606
N'-(2-methyl-4-nitrophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521019
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (CID 71786317) is N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is COc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is RZFXZRXMDAEEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-29-18-7-3-2-6-17(18)24-20(27)19(26)23-13-15-8-11-25(12-9-15)21(28)16-5-4-10-22-14-16/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 396.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 71786317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).