2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide

C11H16ClN3O3 — CID 55041488

IUPAC2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H16ClN3O3/c1-15(5-8(16)6-18-2)11(17)7-3-9(12)14-10(13)4-7/h3-4,8,16H,5-6H2,1-2H3,(H2,13,14)
InChIKeyICRJWJWBYRBXKR-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.40
Rot. Bonds5

About 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide

2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide (PubChem CID 55041488) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide
PubChem CID55041488
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H16ClN3O3/c1-15(5-8(16)6-18-2)11(17)7-3-9(12)14-10(13)4-7/h3-4,8,16H,5-6H2,1-2H3,(H2,13,14)
InChIKeyICRJWJWBYRBXKR-UHFFFAOYSA-N
XLogP0.40
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide (CID 55041488) is 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide is COCC(O)CN(C)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide?
The InChIKey is ICRJWJWBYRBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-15(5-8(16)6-18-2)11(17)7-3-9(12)14-10(13)4-7/h3-4,8,16H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide?
2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 55041488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).