2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide

C10H13ClN2O3 — CID 84580621

IUPAC2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)CCO)cc(Cl)n1
InChIInChI=1S/C10H13ClN2O3/c1-13(3-4-14)10(15)7-5-8(11)12-9(6-7)16-2/h5-6,14H,3-4H2,1-2H3
InChIKeyOJYVEXAXTAYPLJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.81
Rot. Bonds4

About 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide

2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide (PubChem CID 84580621) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
PubChem CID84580621
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)CCO)cc(Cl)n1
InChIInChI=1S/C10H13ClN2O3/c1-13(3-4-14)10(15)7-5-8(11)12-9(6-7)16-2/h5-6,14H,3-4H2,1-2H3
InChIKeyOJYVEXAXTAYPLJ-UHFFFAOYSA-N
XLogP0.81
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
CID 84580910
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide (CID 84580621) is 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide is COc1cc(C(=O)N(C)CCO)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide?
The InChIKey is OJYVEXAXTAYPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-13(3-4-14)10(15)7-5-8(11)12-9(6-7)16-2/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide?
2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 84580621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).