N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide

C19H17N3O6 — CID 45281360

IUPACN'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)NNC(=O)c3ccc[nH]c3=O)ccc12
InChIInChI=1S/C19H17N3O6/c1-10-8-16(23)28-15-9-12(5-6-13(10)15)27-11(2)17(24)21-22-19(26)14-4-3-7-20-18(14)25/h3-9,11H,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyYHDYUMVICOCVPX-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.02
Rot. Bonds4

About N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide

N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 45281360) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
PubChem CID45281360
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC NameN'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)NNC(=O)c3ccc[nH]c3=O)ccc12
InChIInChI=1S/C19H17N3O6/c1-10-8-16(23)28-15-9-12(5-6-13(10)15)27-11(2)17(24)21-22-19(26)14-4-3-7-20-18(14)25/h3-9,11H,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyYHDYUMVICOCVPX-UHFFFAOYSA-N
XLogP1.02
TPSA130.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
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

methyl 2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1177917
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 40612955
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 75413910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide (CID 45281360) is N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide is Cc1cc(=O)oc2cc(OC(C)C(=O)NNC(=O)c3ccc[nH]c3=O)ccc12.
What is the InChIKey of N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is YHDYUMVICOCVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-10-8-16(23)28-15-9-12(5-6-13(10)15)27-11(2)17(24)21-22-19(26)14-4-3-7-20-18(14)25/h3-9,11H,1-2H3,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide?
N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 383.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 45281360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).