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

C18H21N5O4 — CID 25396889

IUPAC4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21N5O4/c1-21-7-9-22(10-8-21)17-6-4-14(12-19-17)20-18(24)13-3-5-16(27-2)15(11-13)23(25)26/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyPJIPBCJCLIVLAK-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.00
Rot. Bonds5

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

4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide (PubChem CID 25396889) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
PubChem CID25396889
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21N5O4/c1-21-7-9-22(10-8-21)17-6-4-14(12-19-17)20-18(24)13-3-5-16(27-2)15(11-13)23(25)26/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyPJIPBCJCLIVLAK-UHFFFAOYSA-N
XLogP2.00
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide 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

3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-nitrobenzamide
CID 26125820
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38854366
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 17388057
N-(4-methoxy-3-nitrophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3979125
4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879438
N-(4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]-3-nitrobenzamide
CID 166634448
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide (CID 25396889) is 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide?
The InChIKey is PJIPBCJCLIVLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-21-7-9-22(10-8-21)17-6-4-14(12-19-17)20-18(24)13-3-5-16(27-2)15(11-13)23(25)26/h3-6,11-12H,7-10H2,1-2H3,(H,20,24).
What are the key properties of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide?
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide has a molecular weight of 371.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide is sourced from PubChem (CID 25396889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).