5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide

C22H23N3O4 — CID 52934161

IUPAC5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide
SMILESCOCCNCCNC(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cn1
InChIInChI=1S/C22H23N3O4/c1-29-11-10-23-8-9-24-22(28)20-6-3-17(13-25-20)15-2-5-18-16(12-15)4-7-21(27)19(18)14-26/h2-7,12-14,23,27H,8-11H2,1H3,(H,24,28)
InChIKeyGQAOATXGMSNLLF-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.39
Rot. Bonds9

About 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide

5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 52934161) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide
PubChem CID52934161
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide
SMILESCOCCNCCNC(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cn1
InChIInChI=1S/C22H23N3O4/c1-29-11-10-23-8-9-24-22(28)20-6-3-17(13-25-20)15-2-5-18-16(12-15)4-7-21(27)19(18)14-26/h2-7,12-14,23,27H,8-11H2,1H3,(H,24,28)
InChIKeyGQAOATXGMSNLLF-UHFFFAOYSA-N
XLogP2.39
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide (CID 52934161) is 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide is COCCNCCNC(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cn1.
What is the InChIKey of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is GQAOATXGMSNLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-11-10-23-8-9-24-22(28)20-6-3-17(13-25-20)15-2-5-18-16(12-15)4-7-21(27)19(18)14-26/h2-7,12-14,23,27H,8-11H2,1H3,(H,24,28).
What are the key properties of 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide?
5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formyl-6-hydroxynaphthalen-2-yl)-N-[2-(2-methoxyethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 52934161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).