2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one

C16H17FN4O2 — CID 142466755

IUPAC2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one
SMILES[H]/N=C(/c1c(N)[nH]c(-c2ccccc2F)cc1=O)N1CCOCC1
InChIInChI=1S/C16H17FN4O2/c17-11-4-2-1-3-10(11)12-9-13(22)14(15(18)20-12)16(19)21-5-7-23-8-6-21/h1-4,9,19H,5-8H2,(H3,18,20,22)/b19-16-
InChIKeyIHUITLHWDFAYDB-MNDPQUGUSA-N
MW316.34 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one

2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one (PubChem CID 142466755) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one
PubChem CID142466755
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one
SMILES[H]/N=C(/c1c(N)[nH]c(-c2ccccc2F)cc1=O)N1CCOCC1
InChIInChI=1S/C16H17FN4O2/c17-11-4-2-1-3-10(11)12-9-13(22)14(15(18)20-12)16(19)21-5-7-23-8-6-21/h1-4,9,19H,5-8H2,(H3,18,20,22)/b19-16-
InChIKeyIHUITLHWDFAYDB-MNDPQUGUSA-N
XLogP1.42
TPSA95.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one (CID 142466755) is 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one is [H]/N=C(/c1c(N)[nH]c(-c2ccccc2F)cc1=O)N1CCOCC1.
What is the InChIKey of 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one?
The InChIKey is IHUITLHWDFAYDB-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-4-2-1-3-10(11)12-9-13(22)14(15(18)20-12)16(19)21-5-7-23-8-6-21/h1-4,9,19H,5-8H2,(H3,18,20,22)/b19-16-.
What are the key properties of 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one?
2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one has a molecular weight of 316.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluorophenyl)-3-(morpholine-4-carboximidoyl)-1H-pyridin-4-one is sourced from PubChem (CID 142466755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).