N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide

C21H21N3O2 — CID 6872223

IUPACN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(CC)cn1
InChIInChI=1S/C21H21N3O2/c1-3-15-9-11-19(22-13-15)21(25)24-23-14-18-17-8-6-5-7-16(17)10-12-20(18)26-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)/b23-14+
InChIKeyNVFHUIHVRXWZQG-OEAKJJBVSA-N
MW347.42 g/mol
LogP3.96
Rot. Bonds6

About N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide (PubChem CID 6872223) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
PubChem CID6872223
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(CC)cn1
InChIInChI=1S/C21H21N3O2/c1-3-15-9-11-19(22-13-15)21(25)24-23-14-18-17-8-6-5-7-16(17)10-12-20(18)26-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)/b23-14+
InChIKeyNVFHUIHVRXWZQG-OEAKJJBVSA-N
XLogP3.96
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.96
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'}

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Related Compounds

N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 46496021
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9463146
4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983110
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
[1-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4063401
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide?
The IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide (CID 6872223) is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide is CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(CC)cn1.
What is the InChIKey of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide?
The InChIKey is NVFHUIHVRXWZQG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-15-9-11-19(22-13-15)21(25)24-23-14-18-17-8-6-5-7-16(17)10-12-20(18)26-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide?
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide is sourced from PubChem (CID 6872223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).