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

C22H20FN7O2 — CID 25093805

IUPACN-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2cnc(NCc3ccc(F)cc3)nc21
InChIInChI=1S/C22H20FN7O2/c1-14(31)25-9-10-30-20-18(28-19(21(30)32)16-3-2-8-24-12-16)13-27-22(29-20)26-11-15-4-6-17(23)7-5-15/h2-8,12-13H,9-11H2,1H3,(H,25,31)(H,26,27,29)
InChIKeyMIBUIXKFVNBPSO-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.14
Rot. Bonds7

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

N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide (PubChem CID 25093805) 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-ylpteridin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
PubChem CID25093805
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC NameN-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2cnc(NCc3ccc(F)cc3)nc21
InChIInChI=1S/C22H20FN7O2/c1-14(31)25-9-10-30-20-18(28-19(21(30)32)16-3-2-8-24-12-16)13-27-22(29-20)26-11-15-4-6-17(23)7-5-15/h2-8,12-13H,9-11H2,1H3,(H,25,31)(H,26,27,29)
InChIKeyMIBUIXKFVNBPSO-UHFFFAOYSA-N
XLogP2.14
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide (CID 25093805) is N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2cccnc2)nc2cnc(NCc3ccc(F)cc3)nc21.
What is the InChIKey of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
The InChIKey is MIBUIXKFVNBPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-14(31)25-9-10-30-20-18(28-19(21(30)32)16-3-2-8-24-12-16)13-27-22(29-20)26-11-15-4-6-17(23)7-5-15/h2-8,12-13H,9-11H2,1H3,(H,25,31)(H,26,27,29).
What are the key properties of N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide has a molecular weight of 433.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-fluorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide is sourced from PubChem (CID 25093805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).