N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide

C17H17N3O3 — CID 10781328

IUPACN'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(/C(N)=N\O)ccc2O1
InChIInChI=1S/C17H17N3O3/c1-17(2)10-13(20-8-4-3-5-15(20)21)12-9-11(16(18)19-22)6-7-14(12)23-17/h3-10,22H,1-2H3,(H2,18,19)
InChIKeyKEZBCWIGKPWZFZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.00
Rot. Bonds2

About N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide

N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide (PubChem CID 10781328) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide
PubChem CID10781328
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(/C(N)=N\O)ccc2O1
InChIInChI=1S/C17H17N3O3/c1-17(2)10-13(20-8-4-3-5-15(20)21)12-9-11(16(18)19-22)6-7-14(12)23-17/h3-10,22H,1-2H3,(H2,18,19)
InChIKeyKEZBCWIGKPWZFZ-UHFFFAOYSA-N
XLogP2.00
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bimakalim
CID 60674
1-[2,2-Dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 11723571
Sarakalim
CID 10047015
2,2,3-Trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 14517985
2(1H)-Pyridinone, 1-(2,2-dimethyl-2H-1-benzopyran-4-yl)-
CID 10538818
2-[[2,2-Dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]methylidene]propanedinitrile
CID 10592446
2,2-Dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564
2,2-Dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbothioamide
CID 14182565
4-(5-Amino-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14182603
4-(2-Oxo-1-pyridinyl)spiro[chromene-2,1'-cyclopentane]-6-carbonitrile
CID 14182630
4-(2-Oxo-1-pyridinyl)spiro[chromene-2,1'-cyclohexane]-6-carbonitrile
CID 14182631
4-(5-Chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14511108

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide (CID 10781328) is N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide is CC1(C)C=C(n2ccccc2=O)c2cc(/C(N)=N\O)ccc2O1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide?
The InChIKey is KEZBCWIGKPWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(2)10-13(20-8-4-3-5-15(20)21)12-9-11(16(18)19-22)6-7-14(12)23-17/h3-10,22H,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide?
N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide has a molecular weight of 311.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide is sourced from PubChem (CID 10781328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).