N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide

C23H24N4O2 — CID 47993620

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c1-26-13-15-27(16-14-26)22-7-3-2-6-21(22)25-23(28)18-8-10-19(11-9-18)29-20-5-4-12-24-17-20/h2-12,17H,13-16H2,1H3,(H,25,28)
InChIKeyZYCNBOOMTLLMDW-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide (PubChem CID 47993620) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
PubChem CID47993620
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c1-26-13-15-27(16-14-26)22-7-3-2-6-21(22)25-23(28)18-8-10-19(11-9-18)29-20-5-4-12-24-17-20/h2-12,17H,13-16H2,1H3,(H,25,28)
InChIKeyZYCNBOOMTLLMDW-UHFFFAOYSA-N
XLogP3.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51111953
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
CID 60588539
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-pyridin-3-yloxyphenyl)methanone
CID 71933279
4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide
CID 70984210

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide (CID 47993620) is N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide is CN1CCN(c2ccccc2NC(=O)c2ccc(Oc3cccnc3)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide?
The InChIKey is ZYCNBOOMTLLMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26-13-15-27(16-14-26)22-7-3-2-6-21(22)25-23(28)18-8-10-19(11-9-18)29-20-5-4-12-24-17-20/h2-12,17H,13-16H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 47993620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).