N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide

C19H17N3O5 — CID 5263838

IUPACN'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESCCCOc1ccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C19H17N3O5/c1-2-9-26-14-4-3-13-10-15(19(25)27-16(13)11-14)18(24)22-21-17(23)12-5-7-20-8-6-12/h3-8,10-11H,2,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyZJTMFWORYGXMOO-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.05
Rot. Bonds5

About N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide

N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide (PubChem CID 5263838) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
PubChem CID5263838
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESCCCOc1ccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C19H17N3O5/c1-2-9-26-14-4-3-13-10-15(19(25)27-16(13)11-14)18(24)22-21-17(23)12-5-7-20-8-6-12/h3-8,10-11H,2,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyZJTMFWORYGXMOO-UHFFFAOYSA-N
XLogP2.05
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.05
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'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
3-acetyl-7-butoxychromen-2-one
CID 166072598
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide
CID 171386220
N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 1039196
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395

Frequently Asked Questions

What is the IUPAC name of N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide (CID 5263838) is N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide is CCCOc1ccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc2c1.
What is the InChIKey of N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is ZJTMFWORYGXMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-2-9-26-14-4-3-13-10-15(19(25)27-16(13)11-14)18(24)22-21-17(23)12-5-7-20-8-6-12/h3-8,10-11H,2,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide?
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 367.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 5263838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).