N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

C20H26N4O2 — CID 164930543

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCOc1ccc(CNC(=O)C(c2cccnc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-10-12-24(13-11-23)19(17-4-3-9-21-15-17)20(25)22-14-16-5-7-18(26-2)8-6-16/h3-9,15,19H,10-14H2,1-2H3,(H,22,25)
InChIKeyDJFHDAATFQJCMI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.70
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (PubChem CID 164930543) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
PubChem CID164930543
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCOc1ccc(CNC(=O)C(c2cccnc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-10-12-24(13-11-23)19(17-4-3-9-21-15-17)20(25)22-14-16-5-7-18(26-2)8-6-16/h3-9,15,19H,10-14H2,1-2H3,(H,22,25)
InChIKeyDJFHDAATFQJCMI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (CID 164930543) is N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is COc1ccc(CNC(=O)C(c2cccnc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The InChIKey is DJFHDAATFQJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-10-12-24(13-11-23)19(17-4-3-9-21-15-17)20(25)22-14-16-5-7-18(26-2)8-6-16/h3-9,15,19H,10-14H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide has a molecular weight of 354.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 164930543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).