5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide

C11H15ClN2O2 — CID 70463058

IUPAC5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-2-3-14(4-5-15)11(16)9-6-10(12)8-13-7-9/h6-8,15H,2-5H2,1H3
InChIKeyYKMAEKFHTXQDGC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.58
Rot. Bonds5

About 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide

5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide (PubChem CID 70463058) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
PubChem CID70463058
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-2-3-14(4-5-15)11(16)9-6-10(12)8-13-7-9/h6-8,15H,2-5H2,1H3
InChIKeyYKMAEKFHTXQDGC-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

5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
6-chloro-N-(2-hydroxyethyl)-N-propylpyrazine-2-carboxamide
CID 106551044
N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 115769637
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 175903314
3-chloro-N,N-dipropylbenzamide
CID 669182
5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
CID 70461907
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
CID 80665958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide (CID 70463058) is 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide is CCCN(CCO)C(=O)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The InChIKey is YKMAEKFHTXQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-3-14(4-5-15)11(16)9-6-10(12)8-13-7-9/h6-8,15H,2-5H2,1H3.
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-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-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 70463058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).