N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid

C28H32N4O6 — CID 22459304

IUPACN-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid
SMILESCCN1CCN(c2cc(NC(=O)c3ccc(-c4ccncc4)c(C)c3)ccc2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C26H30N4O2.C2H2O4/c1-4-29-13-15-30(16-14-29)24-18-22(6-8-25(24)32-3)28-26(31)21-5-7-23(19(2)17-21)20-9-11-27-12-10-20;3-1(4)2(5)6/h5-12,17-18H,4,13-16H2,1-3H3,(H,28,31);(H,3,4)(H,5,6)
InChIKeyRVUUOXGHCRLKCN-UHFFFAOYSA-N
MW520.59 g/mol
LogP3.62
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid

N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid (PubChem CID 22459304) has the molecular formula C28H32N4O6 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid
PubChem CID22459304
Molecular FormulaC28H32N4O6
Molecular Weight520.59 g/mol
Exact Mass520.23
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid
SMILESCCN1CCN(c2cc(NC(=O)c3ccc(-c4ccncc4)c(C)c3)ccc2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C26H30N4O2.C2H2O4/c1-4-29-13-15-30(16-14-29)24-18-22(6-8-25(24)32-3)28-26(31)21-5-7-23(19(2)17-21)20-9-11-27-12-10-20;3-1(4)2(5)6/h5-12,17-18H,4,13-16H2,1-3H3,(H,28,31);(H,3,4)(H,5,6)
InChIKeyRVUUOXGHCRLKCN-UHFFFAOYSA-N
XLogP3.62
TPSA132.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-4-methoxyphenyl]-4-bromo-3-methylbenzamide;oxalic acid
CID 44533134
but-2-enedioic acid;4-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 159842364
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18960586
4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide
CID 70218330
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519
N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119419669
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[(3-methoxy-2-oxopropyl)amino]methyl]-2-methylphenyl]benzamide
CID 18960599
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2-dihydrotriazol-3-yl)phenyl]benzamide
CID 67878356
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid (CID 22459304) is N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid is CCN1CCN(c2cc(NC(=O)c3ccc(-c4ccncc4)c(C)c3)ccc2OC)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid?
The InChIKey is RVUUOXGHCRLKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C2H2O4/c1-4-29-13-15-30(16-14-29)24-18-22(6-8-25(24)32-3)28-26(31)21-5-7-23(19(2)17-21)20-9-11-27-12-10-20;3-1(4)2(5)6/h5-12,17-18H,4,13-16H2,1-3H3,(H,28,31);(H,3,4)(H,5,6).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid?
N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid has a molecular weight of 520.59 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid is sourced from PubChem (CID 22459304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).