3H-pyrido[2,3-d]pyrimidin-4-one

C7H5N3O — CID 135440277

IUPAC3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ncccc12
InChIInChI=1S/C7H5N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1-4H,(H,8,9,10,11)
InChIKeyXKEBMWRWBWRQAO-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

About 3H-pyrido[2,3-d]pyrimidin-4-one

3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135440277) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135440277
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ncccc12
InChIInChI=1S/C7H5N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1-4H,(H,8,9,10,11)
InChIKeyXKEBMWRWBWRQAO-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3H-pyrido[2,3-d]pyrimidin-4-one (CID 135440277) is 3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2ncccc12.
What is the InChIKey of 3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XKEBMWRWBWRQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1-4H,(H,8,9,10,11).
What are the key properties of 3H-pyrido[2,3-d]pyrimidin-4-one?
3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 147.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135440277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).