N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide

C18H15N3O5 — CID 5263160

IUPACN'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESCCOc1ccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C18H15N3O5/c1-2-25-13-4-3-12-9-14(18(24)26-15(12)10-13)17(23)21-20-16(22)11-5-7-19-8-6-11/h3-10H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyZDJNDKLXELXFTE-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.66
Rot. Bonds4

About N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide

N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide (PubChem CID 5263160) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
PubChem CID5263160
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESCCOc1ccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C18H15N3O5/c1-2-25-13-4-3-12-9-14(18(24)26-15(12)10-13)17(23)21-20-16(22)11-5-7-19-8-6-11/h3-10H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyZDJNDKLXELXFTE-UHFFFAOYSA-N
XLogP1.66
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
CID 34250417
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 1039196

Frequently Asked Questions

What is the IUPAC name of N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide (CID 5263160) is N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide is CCOc1ccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc2c1.
What is the InChIKey of N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is ZDJNDKLXELXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-2-25-13-4-3-12-9-14(18(24)26-15(12)10-13)17(23)21-20-16(22)11-5-7-19-8-6-11/h3-10H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 353.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 5263160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).