2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide

C11H16FN3O2 — CID 114034963

IUPAC2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc(F)cnc1N
InChIInChI=1S/C11H16FN3O2/c1-2-3-15(4-5-16)11(17)9-6-8(12)7-14-10(9)13/h6-7,16H,2-5H2,1H3,(H2,13,14)
InChIKeyNQWBJDKDDMVTNR-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.65
Rot. Bonds5

About 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide

2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide (PubChem CID 114034963) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
PubChem CID114034963
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc(F)cnc1N
InChIInChI=1S/C11H16FN3O2/c1-2-3-15(4-5-16)11(17)9-6-8(12)7-14-10(9)13/h6-7,16H,2-5H2,1H3,(H2,13,14)
InChIKeyNQWBJDKDDMVTNR-UHFFFAOYSA-N
XLogP0.65
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide
CID 110091364
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425947
5-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 61425692
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide
CID 166390434
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 114034182

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide (CID 114034963) is 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide is CCCN(CCO)C(=O)c1cc(F)cnc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The InChIKey is NQWBJDKDDMVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-2-3-15(4-5-16)11(17)9-6-8(12)7-14-10(9)13/h6-7,16H,2-5H2,1H3,(H2,13,14).
What are the key properties of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide has a molecular weight of 241.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 114034963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).