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

C25H28N4O2 — CID 110149669

IUPACN-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1
InChIInChI=1S/C25H28N4O2/c1-26-24(30)25(23-12-5-7-15-28-23)13-8-16-29(19-25)17-20-9-2-3-11-22(20)31-18-21-10-4-6-14-27-21/h2-7,9-12,14-15H,8,13,16-19H2,1H3,(H,26,30)
InChIKeySUEUSIVAUHZOJG-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.34
Rot. Bonds7

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

N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 110149669) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID110149669
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1
InChIInChI=1S/C25H28N4O2/c1-26-24(30)25(23-12-5-7-15-28-23)13-8-16-29(19-25)17-20-9-2-3-11-22(20)31-18-21-10-4-6-14-27-21/h2-7,9-12,14-15H,8,13,16-19H2,1H3,(H,26,30)
InChIKeySUEUSIVAUHZOJG-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670
1-[[2-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149805
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149750
(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124965815
N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 110149671
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124999862
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 110149669) is N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is CNC(=O)C1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1.
What is the InChIKey of N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SUEUSIVAUHZOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-26-24(30)25(23-12-5-7-15-28-23)13-8-16-29(19-25)17-20-9-2-3-11-22(20)31-18-21-10-4-6-14-27-21/h2-7,9-12,14-15H,8,13,16-19H2,1H3,(H,26,30).
What are the key properties of N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110149669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).