4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide

C22H18FN5O2 — CID 24961452

IUPAC4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc12
InChIInChI=1S/C22H18FN5O2/c1-2-30-21-19-18(27-22(24)28-21)12-11-17(26-19)13-3-5-14(6-4-13)20(29)25-16-9-7-15(23)8-10-16/h3-12H,2H2,1H3,(H,25,29)(H2,24,27,28)
InChIKeyTYCDYDCNLCYQFQ-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.06
Rot. Bonds5

About 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide

4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide (PubChem CID 24961452) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide
PubChem CID24961452
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc12
InChIInChI=1S/C22H18FN5O2/c1-2-30-21-19-18(27-22(24)28-21)12-11-17(26-19)13-3-5-14(6-4-13)20(29)25-16-9-7-15(23)8-10-16/h3-12H,2H2,1H3,(H,25,29)(H2,24,27,28)
InChIKeyTYCDYDCNLCYQFQ-UHFFFAOYSA-N
XLogP4.06
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide (CID 24961452) is 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide is CCOc1nc(N)nc2ccc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc12.
What is the InChIKey of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide?
The InChIKey is TYCDYDCNLCYQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-2-30-21-19-18(27-22(24)28-21)12-11-17(26-19)13-3-5-14(6-4-13)20(29)25-16-9-7-15(23)8-10-16/h3-12H,2H2,1H3,(H,25,29)(H2,24,27,28).
What are the key properties of 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide?
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide has a molecular weight of 403.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 24961452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).