N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide

C16H14N4O5 — CID 2145339

IUPACN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide
SMILESCn1c(NNC(=O)c2cc3ccccc3oc2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C16H14N4O5/c1-19-12(8-13(21)20(2)16(19)24)17-18-14(22)10-7-9-5-3-4-6-11(9)25-15(10)23/h3-8,17H,1-2H3,(H,18,22)
InChIKeyIZZFEJZMIRGZFL-UHFFFAOYSA-N
MW342.31 g/mol
LogP-0.05
Rot. Bonds3

About N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide (PubChem CID 2145339) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide
PubChem CID2145339
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide
SMILESCn1c(NNC(=O)c2cc3ccccc3oc2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C16H14N4O5/c1-19-12(8-13(21)20(2)16(19)24)17-18-14(22)10-7-9-5-3-4-6-11(9)25-15(10)23/h3-8,17H,1-2H3,(H,18,22)
InChIKeyIZZFEJZMIRGZFL-UHFFFAOYSA-N
XLogP-0.05
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
CID 43935386
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxybenzohydrazide
CID 2145310
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide
CID 2145329
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 43953293
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide (CID 2145339) is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide is Cn1c(NNC(=O)c2cc3ccccc3oc2=O)cc(=O)n(C)c1=O.
What is the InChIKey of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide?
The InChIKey is IZZFEJZMIRGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-19-12(8-13(21)20(2)16(19)24)17-18-14(22)10-7-9-5-3-4-6-11(9)25-15(10)23/h3-8,17H,1-2H3,(H,18,22).
What are the key properties of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide?
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide has a molecular weight of 342.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 2145339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).