5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide

C12H15Cl2N3O3 — CID 115590920

IUPAC5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O3/c1-20-5-4-15-10(18)2-3-16-12(19)8-6-9(13)11(14)17-7-8/h6-7H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyIWGLRPMMARDMDZ-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.27
Rot. Bonds7

About 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide

5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 115590920) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
PubChem CID115590920
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC Name5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O3/c1-20-5-4-15-10(18)2-3-16-12(19)8-6-9(13)11(14)17-7-8/h6-7H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyIWGLRPMMARDMDZ-UHFFFAOYSA-N
XLogP1.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.27
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-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
CID 143700585
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide (CID 115590920) is 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide is COCCNC(=O)CCNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is IWGLRPMMARDMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3/c1-20-5-4-15-10(18)2-3-16-12(19)8-6-9(13)11(14)17-7-8/h6-7H,2-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide?
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 115590920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).