5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

C15H12BrN3O3 — CID 16799401

IUPAC5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O3/c1-8-4-3-7-19-13(8)17-9(2)12(15(19)21)18-14(20)10-5-6-11(16)22-10/h3-7H,1-2H3,(H,18,20)
InChIKeyAYFZEQKNQHTHOF-UHFFFAOYSA-N
MW362.18 g/mol
LogP2.92
Rot. Bonds2

About 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 16799401) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID16799401
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O3/c1-8-4-3-7-19-13(8)17-9(2)12(15(19)21)18-14(20)10-5-6-11(16)22-10/h3-7H,1-2H3,(H,18,20)
InChIKeyAYFZEQKNQHTHOF-UHFFFAOYSA-N
XLogP2.92
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (CID 16799401) is 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is Cc1nc2c(C)cccn2c(=O)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is AYFZEQKNQHTHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-8-4-3-7-19-13(8)17-9(2)12(15(19)21)18-14(20)10-5-6-11(16)22-10/h3-7H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 362.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 16799401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).