5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide

C11H15ClN2O2 — CID 115771489

IUPAC5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESCCN(CCCO)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O2/c1-2-14(6-3-7-15)11(16)10-5-4-9(12)8-13-10/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyRRIBHQFEQXSSFF-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.58
Rot. Bonds5

About 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide

5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 115771489) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
PubChem CID115771489
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESCCN(CCCO)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O2/c1-2-14(6-3-7-15)11(16)10-5-4-9(12)8-13-10/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyRRIBHQFEQXSSFF-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
3-[(5-chloropyridine-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 120520331
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 113436109
5-chloro-N-heptyl-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107258440
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
6-chloro-N-ethyl-N-(2-hydroxyethyl)pyridazine-3-carboxamide
CID 60980637
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide (CID 115771489) is 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide is CCN(CCCO)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The InChIKey is RRIBHQFEQXSSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-14(6-3-7-15)11(16)10-5-4-9(12)8-13-10/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115771489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).