6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide

C18H15N3O3 — CID 135403085

IUPAC6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CO)nc1
InChIInChI=1S/C18H15N3O3/c22-11-14-7-5-13(9-19-14)18(24)21-20-10-16-15-4-2-1-3-12(15)6-8-17(16)23/h1-10,22-23H,11H2,(H,21,24)/b20-10+
InChIKeyHQJNJFVJKALQGS-KEBDBYFISA-N
MW321.34 g/mol
LogP2.20
Rot. Bonds4

About 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide

6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135403085) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID135403085
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CO)nc1
InChIInChI=1S/C18H15N3O3/c22-11-14-7-5-13(9-19-14)18(24)21-20-10-16-15-4-2-1-3-12(15)6-8-17(16)23/h1-10,22-23H,11H2,(H,21,24)/b20-10+
InChIKeyHQJNJFVJKALQGS-KEBDBYFISA-N
XLogP2.20
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide (CID 135403085) is 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CO)nc1.
What is the InChIKey of 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is HQJNJFVJKALQGS-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15N3O3/c22-11-14-7-5-13(9-19-14)18(24)21-20-10-16-15-4-2-1-3-12(15)6-8-17(16)23/h1-10,22-23H,11H2,(H,21,24)/b20-10+.
What are the key properties of 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135403085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).