3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide

C16H14FN5O2 — CID 86703899

IUPAC3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(C(=O)NCCO)c3)nc12
InChIInChI=1S/C16H14FN5O2/c17-11-6-9(5-10(7-11)16(24)19-3-4-23)12-1-2-13-14(22-12)15(18)21-8-20-13/h1-2,5-8,23H,3-4H2,(H,19,24)(H2,18,20,21)
InChIKeyCEPKKIZGZIQUDG-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.14
Rot. Bonds4

About 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide

3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 86703899) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID86703899
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(C(=O)NCCO)c3)nc12
InChIInChI=1S/C16H14FN5O2/c17-11-6-9(5-10(7-11)16(24)19-3-4-23)12-1-2-13-14(22-12)15(18)21-8-20-13/h1-2,5-8,23H,3-4H2,(H,19,24)(H2,18,20,21)
InChIKeyCEPKKIZGZIQUDG-UHFFFAOYSA-N
XLogP1.14
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide (CID 86703899) is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide is Nc1ncnc2ccc(-c3cc(F)cc(C(=O)NCCO)c3)nc12.
What is the InChIKey of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is CEPKKIZGZIQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-11-6-9(5-10(7-11)16(24)19-3-4-23)12-1-2-13-14(22-12)15(18)21-8-20-13/h1-2,5-8,23H,3-4H2,(H,19,24)(H2,18,20,21).
What are the key properties of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 327.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 86703899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).