4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

C25H27ClN4O3 — CID 25396665

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4O3/c1-29-11-13-30(14-12-29)24-10-8-21(16-27-24)28-25(31)19-5-9-22(23(15-19)32-2)33-17-18-3-6-20(26)7-4-18/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,31)
InChIKeyLUQJDNVKGTYQRS-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.33
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 25396665) has the molecular formula C25H27ClN4O3 and a molecular weight of 466.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID25396665
Molecular FormulaC25H27ClN4O3
Molecular Weight466.97 g/mol
Exact Mass466.18
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4O3/c1-29-11-13-30(14-12-29)24-10-8-21(16-27-24)28-25(31)19-5-9-22(23(15-19)32-2)33-17-18-3-6-20(26)7-4-18/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,31)
InChIKeyLUQJDNVKGTYQRS-UHFFFAOYSA-N
XLogP4.33
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide with MolForge

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3553455
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
CID 25396889
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3340594
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 24610746
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 25396665) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is LUQJDNVKGTYQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3/c1-29-11-13-30(14-12-29)24-10-8-21(16-27-24)28-25(31)19-5-9-22(23(15-19)32-2)33-17-18-3-6-20(26)7-4-18/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,31).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 466.97 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 25396665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).