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

C25H28N4O — CID 110232080

IUPACN-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C25H28N4O/c1-26-24(30)25(11-5-15-29(19-25)18-23-8-2-3-12-28-23)17-20-6-4-7-22(16-20)21-9-13-27-14-10-21/h2-4,6-10,12-14,16H,5,11,15,17-19H2,1H3,(H,26,30)
InChIKeyLXFWPVDHPDVZRO-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.71
Rot. Bonds6

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

N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232080) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232080
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C25H28N4O/c1-26-24(30)25(11-5-15-29(19-25)18-23-8-2-3-12-28-23)17-20-6-4-7-22(16-20)21-9-13-27-14-10-21/h2-4,6-10,12-14,16H,5,11,15,17-19H2,1H3,(H,26,30)
InChIKeyLXFWPVDHPDVZRO-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

(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805760
(3R)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579999
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
(3S)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579994
1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232298
(3R)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609435
(2R)-N-methyl-4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610175
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231726
(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95558835
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110232823
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232080) is N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1.
What is the InChIKey of N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LXFWPVDHPDVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-26-24(30)25(11-5-15-29(19-25)18-23-8-2-3-12-28-23)17-20-6-4-7-22(16-20)21-9-13-27-14-10-21/h2-4,6-10,12-14,16H,5,11,15,17-19H2,1H3,(H,26,30).
What are the key properties of N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-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-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).