4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

C29H35N5O2 — CID 144590324

IUPAC4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(CN4CCOC(C)C4)cn3)CC2)cc1-c1cccnc1
InChIInChI=1S/C29H35N5O2/c1-21-5-7-24(16-27(21)25-4-3-11-30-18-25)29(35)32-26-9-12-34(13-10-26)28-8-6-23(17-31-28)20-33-14-15-36-22(2)19-33/h3-8,11,16-18,22,26H,9-10,12-15,19-20H2,1-2H3,(H,32,35)
InChIKeyWZDFLDIUGVNNQC-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.07
Rot. Bonds6

About 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (PubChem CID 144590324) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
PubChem CID144590324
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(CN4CCOC(C)C4)cn3)CC2)cc1-c1cccnc1
InChIInChI=1S/C29H35N5O2/c1-21-5-7-24(16-27(21)25-4-3-11-30-18-25)29(35)32-26-9-12-34(13-10-26)28-8-6-23(17-31-28)20-33-14-15-36-22(2)19-33/h3-8,11,16-18,22,26H,9-10,12-15,19-20H2,1-2H3,(H,32,35)
InChIKeyWZDFLDIUGVNNQC-UHFFFAOYSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 73437917
N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 118154855
N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 90076746
N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 90076905
4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154894
4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 90076936
2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73438509
4-chloro-3-pyridazin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154926
2-chloro-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154847
4-fluoro-2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73437741
4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73437970
4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73438337

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (CID 144590324) is 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCOC(C)C4)cn3)CC2)cc1-c1cccnc1.
What is the InChIKey of 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is WZDFLDIUGVNNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-21-5-7-24(16-27(21)25-4-3-11-30-18-25)29(35)32-26-9-12-34(13-10-26)28-8-6-23(17-31-28)20-33-14-15-36-22(2)19-33/h3-8,11,16-18,22,26H,9-10,12-15,19-20H2,1-2H3,(H,32,35).
What are the key properties of 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 485.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 144590324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).