N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide

C11H14Cl3N3O2 — CID 102751815

IUPACN-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
SMILESCOCCNC(=O)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N3O2/c1-19-5-4-15-9(18)2-3-16-11-8(13)6-7(12)10(14)17-11/h6H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyLNGQRDTXMNVNSB-UHFFFAOYSA-N
MW326.61 g/mol
LogP2.61
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide

N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide (PubChem CID 102751815) has the molecular formula C11H14Cl3N3O2 and a molecular weight of 326.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
PubChem CID102751815
Molecular FormulaC11H14Cl3N3O2
Molecular Weight326.61 g/mol
Exact Mass325.02
IUPAC NameN-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
SMILESCOCCNC(=O)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N3O2/c1-19-5-4-15-9(18)2-3-16-11-8(13)6-7(12)10(14)17-11/h6H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyLNGQRDTXMNVNSB-UHFFFAOYSA-N
XLogP2.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 52.61
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-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102750885
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 42809683
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 114562871
4-methoxy-2-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 114165086
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104923993

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide (CID 102751815) is N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide is COCCNC(=O)CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
The InChIKey is LNGQRDTXMNVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N3O2/c1-19-5-4-15-9(18)2-3-16-11-8(13)6-7(12)10(14)17-11/h6H,2-5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide has a molecular weight of 326.61 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 102751815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).