N-pyrido[3,4-d]pyrimidin-2-ylacetamide

C9H8N4O — CID 67452729

IUPACN-pyrido[3,4-d]pyrimidin-2-ylacetamide
SMILESCC(=O)Nc1ncc2ccncc2n1
InChIInChI=1S/C9H8N4O/c1-6(14)12-9-11-4-7-2-3-10-5-8(7)13-9/h2-5H,1H3,(H,11,12,13,14)
InChIKeyKAQJPQZKYAZMIU-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.98
Rot. Bonds1

About N-pyrido[3,4-d]pyrimidin-2-ylacetamide

N-pyrido[3,4-d]pyrimidin-2-ylacetamide (PubChem CID 67452729) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is N-pyrido[3,4-d]pyrimidin-2-ylacetamide.

Molecular Properties

Compound NameN-pyrido[3,4-d]pyrimidin-2-ylacetamide
PubChem CID67452729
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC NameN-pyrido[3,4-d]pyrimidin-2-ylacetamide
SMILESCC(=O)Nc1ncc2ccncc2n1
InChIInChI=1S/C9H8N4O/c1-6(14)12-9-11-4-7-2-3-10-5-8(7)13-9/h2-5H,1H3,(H,11,12,13,14)
InChIKeyKAQJPQZKYAZMIU-UHFFFAOYSA-N
XLogP0.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrido[3,4-d]pyrimidin-2-ylacetamide?
The IUPAC name of N-pyrido[3,4-d]pyrimidin-2-ylacetamide (CID 67452729) is N-pyrido[3,4-d]pyrimidin-2-ylacetamide.
What is the SMILES notation for N-pyrido[3,4-d]pyrimidin-2-ylacetamide?
The canonical SMILES for N-pyrido[3,4-d]pyrimidin-2-ylacetamide is CC(=O)Nc1ncc2ccncc2n1.
What is the InChIKey of N-pyrido[3,4-d]pyrimidin-2-ylacetamide?
The InChIKey is KAQJPQZKYAZMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6(14)12-9-11-4-7-2-3-10-5-8(7)13-9/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of N-pyrido[3,4-d]pyrimidin-2-ylacetamide?
N-pyrido[3,4-d]pyrimidin-2-ylacetamide has a molecular weight of 188.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrido[3,4-d]pyrimidin-2-ylacetamide is sourced from PubChem (CID 67452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).