3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one

C14H15BrClN3O — CID 114761477

IUPAC3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one
SMILESCCCNc1ccc(Cl)c(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C14H15BrClN3O/c1-2-7-17-13-6-5-11(16)12(18-13)9-19-8-3-4-10(15)14(19)20/h3-6,8H,2,7,9H2,1H3,(H,17,18)
InChIKeyLQSRGCKKLFMVJT-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.53
Rot. Bonds5

About 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one

3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one (PubChem CID 114761477) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one
PubChem CID114761477
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one
SMILESCCCNc1ccc(Cl)c(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C14H15BrClN3O/c1-2-7-17-13-6-5-11(16)12(18-13)9-19-8-3-4-10(15)14(19)20/h3-6,8H,2,7,9H2,1H3,(H,17,18)
InChIKeyLQSRGCKKLFMVJT-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one (CID 114761477) is 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one is CCCNc1ccc(Cl)c(Cn2cccc(Br)c2=O)n1.
What is the InChIKey of 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one?
The InChIKey is LQSRGCKKLFMVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-2-7-17-13-6-5-11(16)12(18-13)9-19-8-3-4-10(15)14(19)20/h3-6,8H,2,7,9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one?
3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one has a molecular weight of 356.65 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 114761477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).