[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid

C9H11N3O4 — CID 174435499

IUPAC[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid
SMILESCN(C)c1ccc(C(=O)N(O)C(=O)O)cn1
InChIInChI=1S/C9H11N3O4/c1-11(2)7-4-3-6(5-10-7)8(13)12(16)9(14)15/h3-5,16H,1-2H3,(H,14,15)
InChIKeyFNGOARWKJPCPCK-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.66
Rot. Bonds2

About [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid

[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid (PubChem CID 174435499) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid.

Molecular Properties

Compound Name[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid
PubChem CID174435499
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid
SMILESCN(C)c1ccc(C(=O)N(O)C(=O)O)cn1
InChIInChI=1S/C9H11N3O4/c1-11(2)7-4-3-6(5-10-7)8(13)12(16)9(14)15/h3-5,16H,1-2H3,(H,14,15)
InChIKeyFNGOARWKJPCPCK-UHFFFAOYSA-N
XLogP0.66
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 140659718
CID 140659718
6-(dimethylamino)pyridine-3-carbonyl chloride
CID 45081550
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
N-cyclopropyl-6-(dimethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 43576622
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
CID 114273237
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 103857272
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid?
The IUPAC name of [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid (CID 174435499) is [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid.
What is the SMILES notation for [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid?
The canonical SMILES for [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid is CN(C)c1ccc(C(=O)N(O)C(=O)O)cn1.
What is the InChIKey of [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid?
The InChIKey is FNGOARWKJPCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-11(2)7-4-3-6(5-10-7)8(13)12(16)9(14)15/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid?
[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid has a molecular weight of 225.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid is sourced from PubChem (CID 174435499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).