3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide

C24H26N4O2 — CID 110149670

IUPAC3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1
InChIInChI=1S/C24H26N4O2/c25-23(29)24(22-11-4-6-14-27-22)12-7-15-28(18-24)16-19-8-1-2-10-21(19)30-17-20-9-3-5-13-26-20/h1-6,8-11,13-14H,7,12,15-18H2,(H2,25,29)
InChIKeyCBVGLQQPOMOTKT-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.07
Rot. Bonds7

About 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide

3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 110149670) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID110149670
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1
InChIInChI=1S/C24H26N4O2/c25-23(29)24(22-11-4-6-14-27-22)12-7-15-28(18-24)16-19-8-1-2-10-21(19)30-17-20-9-3-5-13-26-20/h1-6,8-11,13-14H,7,12,15-18H2,(H2,25,29)
InChIKeyCBVGLQQPOMOTKT-UHFFFAOYSA-N
XLogP3.07
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
1-[[2-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149805
N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 110149671
(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 129458524
(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986533
(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124959329
3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110150171
(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125001818
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 110090181
(3R)-1-[1-(2-fluorophenyl)cyclopentanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023854

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 110149670) is 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1.
What is the InChIKey of 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is CBVGLQQPOMOTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-23(29)24(22-11-4-6-14-27-22)12-7-15-28(18-24)16-19-8-1-2-10-21(19)30-17-20-9-3-5-13-26-20/h1-6,8-11,13-14H,7,12,15-18H2,(H2,25,29).
What are the key properties of 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110149670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).