N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide

C12H17ClN4O3 — CID 106241191

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCOCC(N)=O)cc(Cl)n1
InChIInChI=1S/C12H17ClN4O3/c1-2-15-11-6-8(5-9(13)17-11)12(19)16-3-4-20-7-10(14)18/h5-6H,2-4,7H2,1H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyFXCDWMDDUAIHQO-UHFFFAOYSA-N
MW300.75 g/mol
LogP0.40
Rot. Bonds8

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 106241191) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
PubChem CID106241191
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCOCC(N)=O)cc(Cl)n1
InChIInChI=1S/C12H17ClN4O3/c1-2-15-11-6-8(5-9(13)17-11)12(19)16-3-4-20-7-10(14)18/h5-6H,2-4,7H2,1H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyFXCDWMDDUAIHQO-UHFFFAOYSA-N
XLogP0.40
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 106241202
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 113480509
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide (CID 106241191) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NCCOCC(N)=O)cc(Cl)n1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is FXCDWMDDUAIHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-2-15-11-6-8(5-9(13)17-11)12(19)16-3-4-20-7-10(14)18/h5-6H,2-4,7H2,1H3,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106241191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).