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

C13H19ClN2O2 — CID 113379790

IUPAC2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-16(5-6-17)13(18)10-7-11(9(2)3)15-12(14)8-10/h7-9,17H,4-6H2,1-3H3
InChIKeyCXXUVODHCUSQTI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.31
Rot. Bonds5

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

2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113379790) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113379790
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-16(5-6-17)13(18)10-7-11(9(2)3)15-12(14)8-10/h7-9,17H,4-6H2,1-3H3
InChIKeyCXXUVODHCUSQTI-UHFFFAOYSA-N
XLogP2.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113475573
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
CID 103338650
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
N-ethyl-N-(2-hydroxyethyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78855535
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide (CID 113379790) is 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide is CCN(CCO)C(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is CXXUVODHCUSQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-16(5-6-17)13(18)10-7-11(9(2)3)15-12(14)8-10/h7-9,17H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113379790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).