N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide

C22H20FN7O2 — CID 68543306

IUPACN-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(NCc2ccc(F)cc2)nc2[nH]c(=O)c(-c3cccnc3)nc12
InChIInChI=1S/C22H20FN7O2/c1-13(31)25-10-8-17-19-20(29-21(32)18(28-19)15-3-2-9-24-12-15)30-22(27-17)26-11-14-4-6-16(23)7-5-14/h2-7,9,12H,8,10-11H2,1H3,(H,25,31)(H2,26,27,29,30,32)
InChIKeyUKVFWXJEYLGYGV-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.20
Rot. Bonds7

About N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide

N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide (PubChem CID 68543306) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide
PubChem CID68543306
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC NameN-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(NCc2ccc(F)cc2)nc2[nH]c(=O)c(-c3cccnc3)nc12
InChIInChI=1S/C22H20FN7O2/c1-13(31)25-10-8-17-19-20(29-21(32)18(28-19)15-3-2-9-24-12-15)30-22(27-17)26-11-14-4-6-16(23)7-5-14/h2-7,9,12H,8,10-11H2,1H3,(H,25,31)(H2,26,27,29,30,32)
InChIKeyUKVFWXJEYLGYGV-UHFFFAOYSA-N
XLogP2.20
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide (CID 68543306) is N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide is CC(=O)NCCc1nc(NCc2ccc(F)cc2)nc2[nH]c(=O)c(-c3cccnc3)nc12.
What is the InChIKey of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide?
The InChIKey is UKVFWXJEYLGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-13(31)25-10-8-17-19-20(29-21(32)18(28-19)15-3-2-9-24-12-15)30-22(27-17)26-11-14-4-6-16(23)7-5-14/h2-7,9,12H,8,10-11H2,1H3,(H,25,31)(H2,26,27,29,30,32).
What are the key properties of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide?
N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide has a molecular weight of 433.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-yl-8H-pteridin-4-yl]ethyl]acetamide is sourced from PubChem (CID 68543306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).