1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide

C23H17N3O5 — CID 27370701

IUPAC1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C23H17N3O5/c27-18-12-20(31-19-9-5-4-8-17(18)19)23(30)25-24-22(29)16-10-11-21(28)26(14-16)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,24,29)(H,25,30)
InChIKeyDOPUMDJSIMDKDR-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.08
Rot. Bonds4

About 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide

1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 27370701) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID27370701
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Name1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C23H17N3O5/c27-18-12-20(31-19-9-5-4-8-17(18)19)23(30)25-24-22(29)16-10-11-21(28)26(14-16)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,24,29)(H,25,30)
InChIKeyDOPUMDJSIMDKDR-UHFFFAOYSA-N
XLogP2.08
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
1-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]-3-methylthiourea
CID 2764907
1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370696
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370719
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea
CID 30859594
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide (CID 27370701) is 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is DOPUMDJSIMDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-18-12-20(31-19-9-5-4-8-17(18)19)23(30)25-24-22(29)16-10-11-21(28)26(14-16)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,24,29)(H,25,30).
What are the key properties of 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide?
1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 415.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 27370701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).