N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide

C20H26N4O2 — CID 11638950

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cccc(OC)c3)cn2)CC1
InChIInChI=1S/C20H26N4O2/c1-3-23-9-11-24(12-10-23)19-8-7-16(14-21-19)15-22-20(25)17-5-4-6-18(13-17)26-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,22,25)
InChIKeyAHYMWQYQXJLHMG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.16
Rot. Bonds6

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide (PubChem CID 11638950) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
PubChem CID11638950
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cccc(OC)c3)cn2)CC1
InChIInChI=1S/C20H26N4O2/c1-3-23-9-11-24(12-10-23)19-8-7-16(14-21-19)15-22-20(25)17-5-4-6-18(13-17)26-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,22,25)
InChIKeyAHYMWQYQXJLHMG-UHFFFAOYSA-N
XLogP2.16
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735183
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(difluoromethoxy)benzamide
CID 55749833
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365
1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36505121
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide (CID 11638950) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide is CCN1CCN(c2ccc(CNC(=O)c3cccc(OC)c3)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide?
The InChIKey is AHYMWQYQXJLHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-23-9-11-24(12-10-23)19-8-7-16(14-21-19)15-22-20(25)17-5-4-6-18(13-17)26-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,22,25).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 11638950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).