2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium

C22H29N6O3+ — CID 143764820

IUPAC2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium
SMILESCc1cc(N2CCN(CCNC3=C(N)C(=O)c4ccccc4C3=O)CC2)ccn1.[NH3+]O
InChIInChI=1S/C22H25N5O2.H4NO/c1-15-14-16(6-7-24-15)27-12-10-26(11-13-27)9-8-25-20-19(23)21(28)17-4-2-3-5-18(17)22(20)29;1-2/h2-7,14,25H,8-13,23H2,1H3;2H,1H3/q;+1
InChIKeyFPMGACHZAAWOQN-UHFFFAOYSA-N
MW425.51 g/mol
LogP-0.03
Rot. Bonds5

About 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium

2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium (PubChem CID 143764820) has the molecular formula C22H29N6O3+ and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium.

Molecular Properties

Compound Name2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium
PubChem CID143764820
Molecular FormulaC22H29N6O3+
Molecular Weight425.51 g/mol
Exact Mass425.23
IUPAC Name2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium
SMILESCc1cc(N2CCN(CCNC3=C(N)C(=O)c4ccccc4C3=O)CC2)ccn1.[NH3+]O
InChIInChI=1S/C22H25N5O2.H4NO/c1-15-14-16(6-7-24-15)27-12-10-26(11-13-27)9-8-25-20-19(23)21(28)17-4-2-3-5-18(17)22(20)29;1-2/h2-7,14,25H,8-13,23H2,1H3;2H,1H3/q;+1
InChIKeyFPMGACHZAAWOQN-UHFFFAOYSA-N
XLogP-0.03
TPSA139.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium with MolForge

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Related Compounds

2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium
CID 143764520
2-amino-3-[3-[4-(4-methylphenyl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 143764711
2-amino-3-[2-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;methoxyazanium
CID 143764964
2-amino-3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 130182380
ethyl 6-[4-[3-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]propyl]piperazin-1-yl]pyridine-3-carboxylate
CID 143764592
2-amino-3-[3-(4-benzylpiperidin-1-yl)propylamino]naphthalene-1,4-dione;ethane;hydroxyazanium
CID 143764701
2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine
CID 113482474
5-methyl-N-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142280113
2-amino-3-[3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 130182190
2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium
CID 143765036
2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
CID 139934483
6-amino-7-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]propylamino]quinoline-5,8-dione
CID 143764628

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium?
The IUPAC name of 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium (CID 143764820) is 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium.
What is the SMILES notation for 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium?
The canonical SMILES for 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium is Cc1cc(N2CCN(CCNC3=C(N)C(=O)c4ccccc4C3=O)CC2)ccn1.[NH3+]O.
What is the InChIKey of 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium?
The InChIKey is FPMGACHZAAWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.H4NO/c1-15-14-16(6-7-24-15)27-12-10-26(11-13-27)9-8-25-20-19(23)21(28)17-4-2-3-5-18(17)22(20)29;1-2/h2-7,14,25H,8-13,23H2,1H3;2H,1H3/q;+1.
What are the key properties of 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium?
2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium has a molecular weight of 425.51 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]ethylamino]naphthalene-1,4-dione;hydroxyazanium is sourced from PubChem (CID 143764820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).