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

C21H21N5O3 — CID 71786297

IUPACN'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H21N5O3/c22-13-17-3-1-2-4-18(17)25-20(28)19(27)24-14-15-7-11-26(12-8-15)21(29)16-5-9-23-10-6-16/h1-6,9-10,15H,7-8,11-12,14H2,(H,24,27)(H,25,28)
InChIKeyVPFSOFZWLCREME-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.56
Rot. Bonds4

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

N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 71786297) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID71786297
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H21N5O3/c22-13-17-3-1-2-4-18(17)25-20(28)19(27)24-14-15-7-11-26(12-8-15)21(29)16-5-9-23-10-6-16/h1-6,9-10,15H,7-8,11-12,14H2,(H,24,27)(H,25,28)
InChIKeyVPFSOFZWLCREME-UHFFFAOYSA-N
XLogP1.56
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.56
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-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
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
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-ethoxyphenyl)oxamide
CID 72716890
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107619
N-[[1-(4-nitrobenzoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 3126779
3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide
CID 121108656

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (CID 71786297) is N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is VPFSOFZWLCREME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c22-13-17-3-1-2-4-18(17)25-20(28)19(27)24-14-15-7-11-26(12-8-15)21(29)16-5-9-23-10-6-16/h1-6,9-10,15H,7-8,11-12,14H2,(H,24,27)(H,25,28).
What are the key properties of N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 391.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 71786297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).