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

C12H18Cl2N4O2 — CID 102759668

IUPAC2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCNc1nc(NC(C)C(=O)NCCOC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O2/c1-7(12(19)16-4-5-20-3)17-11-9(14)6-8(13)10(15-2)18-11/h6-7H,4-5H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyRUQBABVZEXIUSH-UHFFFAOYSA-N
MW321.21 g/mol
LogP1.99
Rot. Bonds7

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

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 102759668) has the molecular formula C12H18Cl2N4O2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID102759668
Molecular FormulaC12H18Cl2N4O2
Molecular Weight321.21 g/mol
Exact Mass320.08
IUPAC Name2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCNc1nc(NC(C)C(=O)NCCOC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O2/c1-7(12(19)16-4-5-20-3)17-11-9(14)6-8(13)10(15-2)18-11/h6-7H,4-5H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyRUQBABVZEXIUSH-UHFFFAOYSA-N
XLogP1.99
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114049887
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 114786133
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106768280
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide (CID 102759668) is 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide is CNc1nc(NC(C)C(=O)NCCOC)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RUQBABVZEXIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O2/c1-7(12(19)16-4-5-20-3)17-11-9(14)6-8(13)10(15-2)18-11/h6-7H,4-5H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide?
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 321.21 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 102759668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).