N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C9H13N5O3 — CID 112674235

IUPACN-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESNC(=O)CONC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C9H13N5O3/c10-8(15)3-17-14-9(16)6-1-5-7(2-11-6)13-4-12-5/h4,6,11H,1-3H2,(H2,10,15)(H,12,13)(H,14,16)
InChIKeyYJJDFWHWFOXTIR-UHFFFAOYSA-N
MW239.23 g/mol
LogP-2.04
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 112674235) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID112674235
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESNC(=O)CONC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C9H13N5O3/c10-8(15)3-17-14-9(16)6-1-5-7(2-11-6)13-4-12-5/h4,6,11H,1-3H2,(H2,10,15)(H,12,13)(H,14,16)
InChIKeyYJJDFWHWFOXTIR-UHFFFAOYSA-N
XLogP-2.04
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 82723572
N-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 74443132
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
CID 79354042
N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353787
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
N-[2-(2-methylprop-2-enoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 114467962
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351978
cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 79343131
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79362602
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352892
N-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353705
N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106361569

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 112674235) is N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is NC(=O)CONC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is YJJDFWHWFOXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-8(15)3-17-14-9(16)6-1-5-7(2-11-6)13-4-12-5/h4,6,11H,1-3H2,(H2,10,15)(H,12,13)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 239.23 g/mol, XLogP of -2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 112674235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).