N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide

C10H11Cl2N3O3 — CID 113257998

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)COCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c11-6-1-2-7(12)15-9(6)10(17)14-3-4-18-5-8(13)16/h1-2H,3-5H2,(H2,13,16)(H,14,17)
InChIKeyACXJZYKCDRHAQP-UHFFFAOYSA-N
MW292.12 g/mol
LogP0.62
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide (PubChem CID 113257998) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
PubChem CID113257998
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)COCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c11-6-1-2-7(12)15-9(6)10(17)14-3-4-18-5-8(13)16/h1-2H,3-5H2,(H2,13,16)(H,14,17)
InChIKeyACXJZYKCDRHAQP-UHFFFAOYSA-N
XLogP0.62
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
CID 106233283
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
CID 55041650
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide (CID 113257998) is N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide is NC(=O)COCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide?
The InChIKey is ACXJZYKCDRHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c11-6-1-2-7(12)15-9(6)10(17)14-3-4-18-5-8(13)16/h1-2H,3-5H2,(H2,13,16)(H,14,17).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide has a molecular weight of 292.12 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 113257998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).