N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide

C26H31N5O — CID 57398977

IUPACN-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESCCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1
InChIKeyFDLRWQBJULJDBB-RUZDIDTESA-N
MW429.57 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide

N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 57398977) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
PubChem CID57398977
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESCCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1
InChIKeyFDLRWQBJULJDBB-RUZDIDTESA-N
XLogP3.48
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide (CID 57398977) is N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide is CCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is FDLRWQBJULJDBB-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1.
What are the key properties of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 429.57 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 57398977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).