N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C25H28N4O — CID 110083487

IUPACN-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H28N4O/c1-26-24(30)25(10-15-29(16-11-25)19-20-8-13-27-14-9-20)17-21-5-2-3-7-23(21)22-6-4-12-28-18-22/h2-9,12-14,18H,10-11,15-17,19H2,1H3,(H,26,30)
InChIKeyFSCHBQPJIWJNNM-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083487) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083487
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H28N4O/c1-26-24(30)25(10-15-29(16-11-25)19-20-8-13-27-14-9-20)17-21-5-2-3-7-23(21)22-6-4-12-28-18-22/h2-9,12-14,18H,10-11,15-17,19H2,1H3,(H,26,30)
InChIKeyFSCHBQPJIWJNNM-UHFFFAOYSA-N
XLogP3.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580032
N-methyl-1-(pyridin-4-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232646
(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609626
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 110083648
N-prop-2-ynyl-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231116
N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231102
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 129454443

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083487) is N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FSCHBQPJIWJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-26-24(30)25(10-15-29(16-11-25)19-20-8-13-27-14-9-20)17-21-5-2-3-7-23(21)22-6-4-12-28-18-22/h2-9,12-14,18H,10-11,15-17,19H2,1H3,(H,26,30).
What are the key properties of N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).