N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide

C21H26N4O3 — CID 42567102

IUPACN-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cccnc2N2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C21H26N4O3/c1-15-6-7-17(13-19(15)28-3)21(27)23-14-18-5-4-8-22-20(18)25-11-9-24(10-12-25)16(2)26/h4-8,13H,9-12,14H2,1-3H3,(H,23,27)
InChIKeyKZGFIJHHWNAKJP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.00
Rot. Bonds5

About N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide

N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide (PubChem CID 42567102) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
PubChem CID42567102
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cccnc2N2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C21H26N4O3/c1-15-6-7-17(13-19(15)28-3)21(27)23-14-18-5-4-8-22-20(18)25-11-9-24(10-12-25)16(2)26/h4-8,13H,9-12,14H2,1-3H3,(H,23,27)
InChIKeyKZGFIJHHWNAKJP-UHFFFAOYSA-N
XLogP2.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109155083
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 71876650

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide (CID 42567102) is N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCc2cccnc2N2CCN(C(C)=O)CC2)ccc1C.
What is the InChIKey of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is KZGFIJHHWNAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-6-7-17(13-19(15)28-3)21(27)23-14-18-5-4-8-22-20(18)25-11-9-24(10-12-25)16(2)26/h4-8,13H,9-12,14H2,1-3H3,(H,23,27).
What are the key properties of N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide?
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 42567102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).