N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide

C15H14N6O — CID 5328076

IUPACN-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc3cc(N)ncc23)cc1
InChIInChI=1S/C15H14N6O/c1-9(22)20-10-2-4-11(5-3-10)21-15-12-7-17-14(16)6-13(12)18-8-19-15/h2-8H,1H3,(H2,16,17)(H,20,22)(H,18,19,21)
InChIKeyPHWNKYYBNNWOEC-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.31
Rot. Bonds3

About N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide

N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 5328076) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID5328076
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC NameN-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc3cc(N)ncc23)cc1
InChIInChI=1S/C15H14N6O/c1-9(22)20-10-2-4-11(5-3-10)21-15-12-7-17-14(16)6-13(12)18-8-19-15/h2-8H,1H3,(H2,16,17)(H,20,22)(H,18,19,21)
InChIKeyPHWNKYYBNNWOEC-UHFFFAOYSA-N
XLogP2.31
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 5328076) is N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncnc3cc(N)ncc23)cc1.
What is the InChIKey of N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is PHWNKYYBNNWOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-9(22)20-10-2-4-11(5-3-10)21-15-12-7-17-14(16)6-13(12)18-8-19-15/h2-8H,1H3,(H2,16,17)(H,20,22)(H,18,19,21).
What are the key properties of N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 294.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 5328076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).