2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide

C11H16ClN3O2 — CID 55041535

IUPAC2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H16ClN3O2/c1-7(2)15(3-4-16)11(17)8-5-9(12)14-10(13)6-8/h5-7,16H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVGKUMONGWMBGNY-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide

2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 55041535) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID55041535
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H16ClN3O2/c1-7(2)15(3-4-16)11(17)8-5-9(12)14-10(13)6-8/h5-7,16H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVGKUMONGWMBGNY-UHFFFAOYSA-N
XLogP1.16
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide (CID 55041535) is 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(CCO)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is VGKUMONGWMBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2)15(3-4-16)11(17)8-5-9(12)14-10(13)6-8/h5-7,16H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 55041535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).