N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide

C24H26FN7O3 — CID 142515282

IUPACN-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCN1CCN(CCNc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1
InChIInChI=1S/C24H26FN7O3/c1-30-12-14-31(15-13-30)11-10-26-22-9-4-18(16-27-22)24(33)29-23-21(32(34)35)8-7-20(28-23)17-2-5-19(25)6-3-17/h2-9,16H,10-15H2,1H3,(H,26,27)(H,28,29,33)
InChIKeyJKLQYXBXZQZLJM-UHFFFAOYSA-N
MW479.52 g/mol
LogP3.10
Rot. Bonds8

About N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide

N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 142515282) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide
PubChem CID142515282
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC NameN-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCN1CCN(CCNc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1
InChIInChI=1S/C24H26FN7O3/c1-30-12-14-31(15-13-30)11-10-26-22-9-4-18(16-27-22)24(33)29-23-21(32(34)35)8-7-20(28-23)17-2-5-19(25)6-3-17/h2-9,16H,10-15H2,1H3,(H,26,27)(H,28,29,33)
InChIKeyJKLQYXBXZQZLJM-UHFFFAOYSA-N
XLogP3.10
TPSA116.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide (CID 142515282) is N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide is CN1CCN(CCNc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1.
What is the InChIKey of N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is JKLQYXBXZQZLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-30-12-14-31(15-13-30)11-10-26-22-9-4-18(16-27-22)24(33)29-23-21(32(34)35)8-7-20(28-23)17-2-5-19(25)6-3-17/h2-9,16H,10-15H2,1H3,(H,26,27)(H,28,29,33).
What are the key properties of N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide?
N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 142515282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).