1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione

C14H11N3O3 — CID 87254733

IUPAC1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESCc1cccc(Cn2c(=O)oc(=O)c3cccnc32)n1
InChIInChI=1S/C14H11N3O3/c1-9-4-2-5-10(16-9)8-17-12-11(6-3-7-15-12)13(18)20-14(17)19/h2-7H,8H2,1H3
InChIKeyCYQIWOKHKPMKMW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.10
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione

1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione (PubChem CID 87254733) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
PubChem CID87254733
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESCc1cccc(Cn2c(=O)oc(=O)c3cccnc32)n1
InChIInChI=1S/C14H11N3O3/c1-9-4-2-5-10(16-9)8-17-12-11(6-3-7-15-12)13(18)20-14(17)19/h2-7H,8H2,1H3
InChIKeyCYQIWOKHKPMKMW-UHFFFAOYSA-N
XLogP1.10
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione (CID 87254733) is 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione is Cc1cccc(Cn2c(=O)oc(=O)c3cccnc32)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The InChIKey is CYQIWOKHKPMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-4-2-5-10(16-9)8-17-12-11(6-3-7-15-12)13(18)20-14(17)19/h2-7H,8H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 87254733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).