2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide

C25H28N4O — CID 92561823

IUPAC2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C25H28N4O/c1-19-9-2-3-12-22(19)25(30)28-24(23-13-5-7-15-27-23)20-10-8-16-29(17-20)18-21-11-4-6-14-26-21/h2-7,9,11-15,20,24H,8,10,16-18H2,1H3,(H,28,30)/t20-,24+/m1/s1
InChIKeyLXFLZVAOCGTPQK-YKSBVNFPSA-N
MW400.53 g/mol
LogP4.17
Rot. Bonds6

About 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide

2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 92561823) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
PubChem CID92561823
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C25H28N4O/c1-19-9-2-3-12-22(19)25(30)28-24(23-13-5-7-15-27-23)20-10-8-16-29(17-20)18-21-11-4-6-14-26-21/h2-7,9,11-15,20,24H,8,10,16-18H2,1H3,(H,28,30)/t20-,24+/m1/s1
InChIKeyLXFLZVAOCGTPQK-YKSBVNFPSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228759
N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561790
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241
2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 92561784
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 46951192
3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 100833189
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide;hydrochloride
CID 171669163
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide (CID 92561823) is 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide is Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is LXFLZVAOCGTPQK-YKSBVNFPSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-9-2-3-12-22(19)25(30)28-24(23-13-5-7-15-27-23)20-10-8-16-29(17-20)18-21-11-4-6-14-26-21/h2-7,9,11-15,20,24H,8,10,16-18H2,1H3,(H,28,30)/t20-,24+/m1/s1.
What are the key properties of 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 92561823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).