N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide

C10H12ClN3O3 — CID 103767651

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
SMILESNC(=O)COCCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c11-8-5-7(1-2-13-8)10(16)14-3-4-17-6-9(12)15/h1-2,5H,3-4,6H2,(H2,12,15)(H,14,16)
InChIKeyFZAAXQJAWDOYQK-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.03
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide (PubChem CID 103767651) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
PubChem CID103767651
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
SMILESNC(=O)COCCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c11-8-5-7(1-2-13-8)10(16)14-3-4-17-6-9(12)15/h1-2,5H,3-4,6H2,(H2,12,15)(H,14,16)
InChIKeyFZAAXQJAWDOYQK-UHFFFAOYSA-N
XLogP-0.03
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.03
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoropyridine-4-carboxamide
CID 103767645
N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
CID 103901221
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-4-nitrobenzamide
CID 104864836
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide (CID 103767651) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide is NC(=O)COCCNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide?
The InChIKey is FZAAXQJAWDOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-5-7(1-2-13-8)10(16)14-3-4-17-6-9(12)15/h1-2,5H,3-4,6H2,(H2,12,15)(H,14,16).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide has a molecular weight of 257.68 g/mol, XLogP of -0.03, 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]-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 103767651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).