N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide

C26H30N4O2 — CID 10025720

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc(C)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H30N4O2/c1-21-10-12-22(13-11-21)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)32-2/h3-14H,15-20H2,1-2H3
InChIKeyIFXNLSMJXGZVMR-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.87
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide (PubChem CID 10025720) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide
PubChem CID10025720
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc(C)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H30N4O2/c1-21-10-12-22(13-11-21)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)32-2/h3-14H,15-20H2,1-2H3
InChIKeyIFXNLSMJXGZVMR-UHFFFAOYSA-N
XLogP3.87
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide (CID 10025720) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide is COc1ccccc1N1CCN(CCN(C(=O)c2ccc(C)cc2)c2ccccn2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide?
The InChIKey is IFXNLSMJXGZVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-21-10-12-22(13-11-21)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)32-2/h3-14H,15-20H2,1-2H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 10025720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).