2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide

C12H18FN3O2 — CID 105385323

IUPAC2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H18FN3O2/c1-2-3-6-16(7-8-17)12(18)9-4-5-15-11(14)10(9)13/h4-5,17H,2-3,6-8H2,1H3,(H2,14,15)
InChIKeyIJAMDCLINHZMJA-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.04
Rot. Bonds6

About 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide

2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 105385323) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID105385323
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H18FN3O2/c1-2-3-6-16(7-8-17)12(18)9-4-5-15-11(14)10(9)13/h4-5,17H,2-3,6-8H2,1H3,(H2,14,15)
InChIKeyIJAMDCLINHZMJA-UHFFFAOYSA-N
XLogP1.04
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide (CID 105385323) is 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide is CCCCN(CCO)C(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is IJAMDCLINHZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-2-3-6-16(7-8-17)12(18)9-4-5-15-11(14)10(9)13/h4-5,17H,2-3,6-8H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide?
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105385323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).