N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide

C19H17N3O2 — CID 6173282

IUPACN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccncc3)ccc2c1
InChIInChI=1S/C19H17N3O2/c1-13(21-22-19(23)14-7-9-20-10-8-14)15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-12H,1-2H3,(H,22,23)/b21-13-
InChIKeyPTNMAEPHZDDMEF-BKUYFWCQSA-N
MW319.36 g/mol
LogP3.40
Rot. Bonds4

About N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 6173282) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
PubChem CID6173282
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccncc3)ccc2c1
InChIInChI=1S/C19H17N3O2/c1-13(21-22-19(23)14-7-9-20-10-8-14)15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-12H,1-2H3,(H,22,23)/b21-13-
InChIKeyPTNMAEPHZDDMEF-BKUYFWCQSA-N
XLogP3.40
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide (CID 6173282) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide is COc1ccc2cc(/C(C)=N\NC(=O)c3ccncc3)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is PTNMAEPHZDDMEF-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(21-22-19(23)14-7-9-20-10-8-14)15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-12H,1-2H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6173282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).