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

C21H18N2O3 — CID 88947030

IUPAC2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCCC4)nc3)ccc12
InChIInChI=1S/C21H18N2O3/c24-13-18-17-6-3-14(11-15(17)5-8-20(18)25)16-4-7-19(22-12-16)21(26)23-9-1-2-10-23/h3-8,11-13,25H,1-2,9-10H2
InChIKeySFGBDZJVQFIZNO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.66
Rot. Bonds3

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

2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde (PubChem CID 88947030) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
PubChem CID88947030
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCCC4)nc3)ccc12
InChIInChI=1S/C21H18N2O3/c24-13-18-17-6-3-14(11-15(17)5-8-20(18)25)16-4-7-19(22-12-16)21(26)23-9-1-2-10-23/h3-8,11-13,25H,1-2,9-10H2
InChIKeySFGBDZJVQFIZNO-UHFFFAOYSA-N
XLogP3.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde (CID 88947030) is 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCCC4)nc3)ccc12.
What is the InChIKey of 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
The InChIKey is SFGBDZJVQFIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-13-18-17-6-3-14(11-15(17)5-8-20(18)25)16-4-7-19(22-12-16)21(26)23-9-1-2-10-23/h3-8,11-13,25H,1-2,9-10H2.
What are the key properties of 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde has a molecular weight of 346.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).