2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde

C22H21N3O3 — CID 88947018

IUPAC2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
SMILESCN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)cn2)CC1
InChIInChI=1S/C22H21N3O3/c1-24-8-10-25(11-9-24)22(28)20-6-3-17(13-23-20)15-2-5-18-16(12-15)4-7-21(27)19(18)14-26/h2-7,12-14,27H,8-11H2,1H3
InChIKeyFAXAOQFQKPDZAB-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.81
Rot. Bonds3

About 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde

2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde (PubChem CID 88947018) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
PubChem CID88947018
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
SMILESCN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)cn2)CC1
InChIInChI=1S/C22H21N3O3/c1-24-8-10-25(11-9-24)22(28)20-6-3-17(13-23-20)15-2-5-18-16(12-15)4-7-21(27)19(18)14-26/h2-7,12-14,27H,8-11H2,1H3
InChIKeyFAXAOQFQKPDZAB-UHFFFAOYSA-N
XLogP2.81
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde (CID 88947018) is 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde is CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)cn2)CC1.
What is the InChIKey of 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
The InChIKey is FAXAOQFQKPDZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-24-8-10-25(11-9-24)22(28)20-6-3-17(13-23-20)15-2-5-18-16(12-15)4-7-21(27)19(18)14-26/h2-7,12-14,27H,8-11H2,1H3.
What are the key properties of 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde has a molecular weight of 375.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).