2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide

C10H11Cl2N3O2 — CID 114917304

IUPAC2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-2-13-9(16)5-15-10(17)6-3-8(12)14-4-7(6)11/h3-4H,2,5H2,1H3,(H,13,16)(H,15,17)
InChIKeyKVYGENITEUUJNU-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.25
Rot. Bonds4

About 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide

2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 114917304) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID114917304
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-2-13-9(16)5-15-10(17)6-3-8(12)14-4-7(6)11/h3-4H,2,5H2,1H3,(H,13,16)(H,15,17)
InChIKeyKVYGENITEUUJNU-UHFFFAOYSA-N
XLogP1.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 114917304) is 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide is CCNC(=O)CNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is KVYGENITEUUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-2-13-9(16)5-15-10(17)6-3-8(12)14-4-7(6)11/h3-4H,2,5H2,1H3,(H,13,16)(H,15,17).
What are the key properties of 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 276.12 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).