N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide

C18H15N3O2 — CID 135408622

IUPACN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H15N3O2/c1-12(20-21-18(23)14-8-10-19-11-9-14)15-7-6-13-4-2-3-5-16(13)17(15)22/h2-11,22H,1H3,(H,21,23)/b20-12+
InChIKeyWTXWEZCDRDKRNU-UDWIEESQSA-N
MW305.34 g/mol
LogP3.09
Rot. Bonds3

About N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 135408622) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
PubChem CID135408622
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H15N3O2/c1-12(20-21-18(23)14-8-10-19-11-9-14)15-7-6-13-4-2-3-5-16(13)17(15)22/h2-11,22H,1H3,(H,21,23)/b20-12+
InChIKeyWTXWEZCDRDKRNU-UDWIEESQSA-N
XLogP3.09
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide (CID 135408622) is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is WTXWEZCDRDKRNU-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12(20-21-18(23)14-8-10-19-11-9-14)15-7-6-13-4-2-3-5-16(13)17(15)22/h2-11,22H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135408622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).