3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide

C21H28N4O3 — CID 31007571

IUPAC3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc(OC)c1C
InChIInChI=1S/C21H28N4O3/c1-15-18(27-3)11-17(12-19(15)28-4)21(26)23-14-16-5-6-20(22-13-16)25-9-7-24(2)8-10-25/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,26)
InChIKeyDEZFAAXCQPDYNR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.09
Rot. Bonds6

About 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide

3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 31007571) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID31007571
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc(OC)c1C
InChIInChI=1S/C21H28N4O3/c1-15-18(27-3)11-17(12-19(15)28-4)21(26)23-14-16-5-6-20(22-13-16)25-9-7-24(2)8-10-25/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,26)
InChIKeyDEZFAAXCQPDYNR-UHFFFAOYSA-N
XLogP2.09
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
6,7-dimethoxy-N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269673
2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
CID 30659242

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (CID 31007571) is 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is COc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is DEZFAAXCQPDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-18(27-3)11-17(12-19(15)28-4)21(26)23-14-16-5-6-20(22-13-16)25-9-7-24(2)8-10-25/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,26).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 31007571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).