N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide

C23H30N4O2 — CID 117094335

IUPACN-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NCc3ccccc3)n2)C1
InChIInChI=1S/C23H30N4O2/c1-3-26(4-2)23(29)19-12-9-15-27(17-19)21-14-8-13-20(25-21)22(28)24-16-18-10-6-5-7-11-18/h5-8,10-11,13-14,19H,3-4,9,12,15-17H2,1-2H3,(H,24,28)
InChIKeyUDJAULJVLDPHSB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.10
Rot. Bonds7

About N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide

N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 117094335) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID117094335
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NCc3ccccc3)n2)C1
InChIInChI=1S/C23H30N4O2/c1-3-26(4-2)23(29)19-12-9-15-27(17-19)21-14-8-13-20(25-21)22(28)24-16-18-10-6-5-7-11-18/h5-8,10-11,13-14,19H,3-4,9,12,15-17H2,1-2H3,(H,24,28)
InChIKeyUDJAULJVLDPHSB-UHFFFAOYSA-N
XLogP3.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117088957
N-(4-acetamidophenyl)-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094656
N-ethyl-N-(2-hydroxyethyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575190
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N,N-diethyl-1-[6-[3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
CID 117089243
N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
CID 117089167
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
1-(6-cyanopyrazin-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 132776180
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide (CID 117094335) is N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide is CCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NCc3ccccc3)n2)C1.
What is the InChIKey of N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is UDJAULJVLDPHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-26(4-2)23(29)19-12-9-15-27(17-19)21-14-8-13-20(25-21)22(28)24-16-18-10-6-5-7-11-18/h5-8,10-11,13-14,19H,3-4,9,12,15-17H2,1-2H3,(H,24,28).
What are the key properties of N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 117094335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).