6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide

C11H16N5O3+ — CID 135727015

IUPAC6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide
SMILESCN(C)C(=O)c1cc(O)c(/C=N/NC(N)=O)[n+](C)c1
InChIInChI=1S/C11H15N5O3/c1-15(2)10(18)7-4-9(17)8(16(3)6-7)5-13-14-11(12)19/h4-6H,1-3H3,(H3,12,17,19)/p+1
InChIKeyLXOUGANUKRHSDL-UHFFFAOYSA-O
MW266.28 g/mol
LogP-1.08
Rot. Bonds3

About 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide

6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide (PubChem CID 135727015) has the molecular formula C11H16N5O3+ and a molecular weight of 266.28 g/mol. Its IUPAC name is 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide
PubChem CID135727015
Molecular FormulaC11H16N5O3+
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide
SMILESCN(C)C(=O)c1cc(O)c(/C=N/NC(N)=O)[n+](C)c1
InChIInChI=1S/C11H15N5O3/c1-15(2)10(18)7-4-9(17)8(16(3)6-7)5-13-14-11(12)19/h4-6H,1-3H3,(H3,12,17,19)/p+1
InChIKeyLXOUGANUKRHSDL-UHFFFAOYSA-O
XLogP-1.08
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468
[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea
CID 135727000
[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
CID 168533781
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(1-methylpyridin-1-ium-2-yl)methylideneamino]urea iodide
CID 71396567
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
CID 135698985
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide?
The IUPAC name of 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide (CID 135727015) is 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide?
The canonical SMILES for 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide is CN(C)C(=O)c1cc(O)c(/C=N/NC(N)=O)[n+](C)c1.
What is the InChIKey of 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide?
The InChIKey is LXOUGANUKRHSDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N5O3/c1-15(2)10(18)7-4-9(17)8(16(3)6-7)5-13-14-11(12)19/h4-6H,1-3H3,(H3,12,17,19)/p+1.
What are the key properties of 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide?
6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide has a molecular weight of 266.28 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 135727015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).