methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate

C19H17BrN2O4 — CID 166146808

IUPACmethyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N[C@H](C)c1cc(C)cc2c(=O)cc(Br)oc12
InChIInChI=1S/C19H17BrN2O4/c1-10-7-12(18-13(8-10)15(23)9-16(20)26-18)11(2)22-14-5-4-6-21-17(14)19(24)25-3/h4-9,11,22H,1-3H3/t11-/m1/s1
InChIKeyNSCRTSXTPALMMG-LLVKDONJSA-N
MW417.26 g/mol
LogP4.22
Rot. Bonds4

About methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate

methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate (PubChem CID 166146808) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate
PubChem CID166146808
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Namemethyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N[C@H](C)c1cc(C)cc2c(=O)cc(Br)oc12
InChIInChI=1S/C19H17BrN2O4/c1-10-7-12(18-13(8-10)15(23)9-16(20)26-18)11(2)22-14-5-4-6-21-17(14)19(24)25-3/h4-9,11,22H,1-3H3/t11-/m1/s1
InChIKeyNSCRTSXTPALMMG-LLVKDONJSA-N
XLogP4.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate (CID 166146808) is methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate is COC(=O)c1ncccc1N[C@H](C)c1cc(C)cc2c(=O)cc(Br)oc12.
What is the InChIKey of methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate?
The InChIKey is NSCRTSXTPALMMG-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-10-7-12(18-13(8-10)15(23)9-16(20)26-18)11(2)22-14-5-4-6-21-17(14)19(24)25-3/h4-9,11,22H,1-3H3/t11-/m1/s1.
What are the key properties of methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate?
methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate has a molecular weight of 417.26 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R)-1-(2-bromo-6-methyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 166146808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).