(4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C18H16BrN3O2 — CID 2026730

IUPAC(4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2
InChIInChI=1S/C18H16BrN3O2/c1-3-22-10(2)7-14-16(18(22)23)15(13(9-20)17(21)24-14)11-5-4-6-12(19)8-11/h4-8,15H,3,21H2,1-2H3/t15-/m1/s1
InChIKeyQSOZMIWHWQLYHP-OAHLLOKOSA-N
MW386.25 g/mol
LogP3.16
Rot. Bonds2

About (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

(4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 2026730) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID2026730
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name(4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2
InChIInChI=1S/C18H16BrN3O2/c1-3-22-10(2)7-14-16(18(22)23)15(13(9-20)17(21)24-14)11-5-4-6-12(19)8-11/h4-8,15H,3,21H2,1-2H3/t15-/m1/s1
InChIKeyQSOZMIWHWQLYHP-OAHLLOKOSA-N
XLogP3.16
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23655081
2-amino-4-(2-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661686
2-amino-4-(4-bromophenyl)-6-(2-(dimethylamino)ethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661789
2-amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-4-(2-bromophenyl)-6-ethyl-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666562
2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888816
2-amino-4-(3-bromo-4-fluorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 24854520
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(propan-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666654
2-amino-4-benzyl-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666721
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 667387
2-amino-4-(4-isopropylphenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888550
2-amino-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 2754039

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 2026730) is (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCn1c(C)cc2c(c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is QSOZMIWHWQLYHP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-3-22-10(2)7-14-16(18(22)23)15(13(9-20)17(21)24-14)11-5-4-6-12(19)8-11/h4-8,15H,3,21H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
(4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 386.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 2026730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).