N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide

C19H15N3O4 — CID 785049

IUPACN'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESC=CCc1cccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc12
InChIInChI=1S/C19H15N3O4/c1-2-4-12-5-3-6-14-11-15(19(25)26-16(12)14)18(24)22-21-17(23)13-7-9-20-10-8-13/h2-3,5-11H,1,4H2,(H,21,23)(H,22,24)
InChIKeyFWWDDDPKBMQTIF-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.99
Rot. Bonds4

About N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide

N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide (PubChem CID 785049) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
PubChem CID785049
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESC=CCc1cccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc12
InChIInChI=1S/C19H15N3O4/c1-2-4-12-5-3-6-14-11-15(19(25)26-16(12)14)18(24)22-21-17(23)13-7-9-20-10-8-13/h2-3,5-11H,1,4H2,(H,21,23)(H,22,24)
InChIKeyFWWDDDPKBMQTIF-UHFFFAOYSA-N
XLogP1.99
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide (CID 785049) is N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide is C=CCc1cccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc12.
What is the InChIKey of N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is FWWDDDPKBMQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-2-4-12-5-3-6-14-11-15(19(25)26-16(12)14)18(24)22-21-17(23)13-7-9-20-10-8-13/h2-3,5-11H,1,4H2,(H,21,23)(H,22,24).
What are the key properties of N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide?
N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 349.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 785049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).