N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide

C8H8ClN3O3 — CID 103901221

IUPACN-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
SMILESNC(=O)CONC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C8H8ClN3O3/c9-6-3-5(1-2-11-6)8(14)12-15-4-7(10)13/h1-3H,4H2,(H2,10,13)(H,12,14)
InChIKeyWLMAIELHNUTUKS-UHFFFAOYSA-N
MW229.62 g/mol
LogP-0.12
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide

N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide (PubChem CID 103901221) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
PubChem CID103901221
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC NameN-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
SMILESNC(=O)CONC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C8H8ClN3O3/c9-6-3-5(1-2-11-6)8(14)12-15-4-7(10)13/h1-3H,4H2,(H2,10,13)(H,12,14)
InChIKeyWLMAIELHNUTUKS-UHFFFAOYSA-N
XLogP-0.12
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
N-(2-amino-2-oxoethoxy)-4-hydroxy-3-methylbenzamide
CID 103958323
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
CID 61217075
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-[(2,6-dichloropyridine-4-carbonyl)amino]oxyacetic acid
CID 103603441
butanamide;2-chloropyridine-4-carboxamide
CID 174570819
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
CID 112619998
N-(2-amino-2-oxoethoxy)-1H-indazole-6-carboxamide
CID 112674427

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide (CID 103901221) is N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide is NC(=O)CONC(=O)c1ccnc(Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide?
The InChIKey is WLMAIELHNUTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c9-6-3-5(1-2-11-6)8(14)12-15-4-7(10)13/h1-3H,4H2,(H2,10,13)(H,12,14).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide?
N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide has a molecular weight of 229.62 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 103901221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).