3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide

C21H17N5O — CID 68915324

IUPAC3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1
InChIInChI=1S/C21H17N5O/c22-20(27)15-8-4-7-14(12-15)16-9-10-17-19(24-16)18(26-21(23)25-17)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,22,27)(H2,23,25,26)
InChIKeyVSBSQKPZASAMMJ-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.96
Rot. Bonds4

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

3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide (PubChem CID 68915324) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide
PubChem CID68915324
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1
InChIInChI=1S/C21H17N5O/c22-20(27)15-8-4-7-14(12-15)16-9-10-17-19(24-16)18(26-21(23)25-17)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,22,27)(H2,23,25,26)
InChIKeyVSBSQKPZASAMMJ-UHFFFAOYSA-N
XLogP2.96
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide?
The IUPAC name of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide (CID 68915324) is 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide is NC(=O)c1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1.
What is the InChIKey of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide?
The InChIKey is VSBSQKPZASAMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-20(27)15-8-4-7-14(12-15)16-9-10-17-19(24-16)18(26-21(23)25-17)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,22,27)(H2,23,25,26).
What are the key properties of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide?
3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 68915324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).