5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

C14H9BrClN3O3 — CID 18566157

IUPAC5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H9BrClN3O3/c1-7-12(18-13(20)9-3-4-10(15)22-9)14(21)19-6-8(16)2-5-11(19)17-7/h2-6H,1H3,(H,18,20)
InChIKeyDZSKVOHYAHBYJK-UHFFFAOYSA-N
MW382.60 g/mol
LogP3.26
Rot. Bonds2

About 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 18566157) has the molecular formula C14H9BrClN3O3 and a molecular weight of 382.60 g/mol. Its IUPAC name is 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID18566157
Molecular FormulaC14H9BrClN3O3
Molecular Weight382.60 g/mol
Exact Mass380.95
IUPAC Name5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H9BrClN3O3/c1-7-12(18-13(20)9-3-4-10(15)22-9)14(21)19-6-8(16)2-5-11(19)17-7/h2-6H,1H3,(H,18,20)
InChIKeyDZSKVOHYAHBYJK-UHFFFAOYSA-N
XLogP3.26
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (CID 18566157) is 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is DZSKVOHYAHBYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O3/c1-7-12(18-13(20)9-3-4-10(15)22-9)14(21)19-6-8(16)2-5-11(19)17-7/h2-6H,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 382.60 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18566157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).