N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

C10H11N3O3 — CID 86623138

IUPACN-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CO)c[nH]c2cn1
InChIInChI=1S/C10H11N3O3/c1-13(16)10(15)8-2-7-6(5-14)3-11-9(7)4-12-8/h2-4,11,14,16H,5H2,1H3
InChIKeyGGYRIFCIEKZZBX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.52
Rot. Bonds2

About N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide

N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 86623138) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID86623138
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CO)c[nH]c2cn1
InChIInChI=1S/C10H11N3O3/c1-13(16)10(15)8-2-7-6(5-14)3-11-9(7)4-12-8/h2-4,11,14,16H,5H2,1H3
InChIKeyGGYRIFCIEKZZBX-UHFFFAOYSA-N
XLogP0.52
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 12043936
N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136599315
2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid
CID 165457034
3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 67838414
2-bromo-7-(hydroxymethyl)-5H-pyrido[3,2-d]pyrimidin-8-one
CID 135394367
3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 123557711
methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
CID 175290315
N-[2-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]-N-methylpropan-2-amine
CID 171724883
N-(2-hydroxypropyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 62334561
6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 144813636
(3-ethyl-1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
CID 174758035
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 86623138) is N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2c(CO)c[nH]c2cn1.
What is the InChIKey of N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is GGYRIFCIEKZZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-13(16)10(15)8-2-7-6(5-14)3-11-9(7)4-12-8/h2-4,11,14,16H,5H2,1H3.
What are the key properties of N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide?
N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 86623138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).