N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide

C16H13BrN2O3 — CID 171350520

IUPACN-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1ccc(Br)cn1)=C2
InChIInChI=1S/C16H13BrN2O3/c1-21-13-4-2-3-10-7-11(9-22-15(10)13)16(20)19-14-6-5-12(17)8-18-14/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyDBCKANCZAPKAPP-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.27
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide

N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide (PubChem CID 171350520) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide
PubChem CID171350520
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC NameN-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1ccc(Br)cn1)=C2
InChIInChI=1S/C16H13BrN2O3/c1-21-13-4-2-3-10-7-11(9-22-15(10)13)16(20)19-14-6-5-12(17)8-18-14/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyDBCKANCZAPKAPP-UHFFFAOYSA-N
XLogP3.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2906552
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 651868
2-[[(5-Bromopyridin-2-yl)amino]methyl]-6-methoxyphenol
CID 661571
N-(3-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 691567
N-(4-methylpyridin-2-yl)-2-oxochromene-3-carboxamide
CID 1523620
2-cyano-3-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-N-(pyridin-2-yl)prop-2-enamide
CID 2544835
N-(5-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2910626
6-bromo-8-methoxy-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-2H-chromen-2-one
CID 2967551
(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 2415782
[(2S,3R)-3-[(5-bromo-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 86271676
8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid (2-morpholin-4-yl-pyridin-3-yl)-amide
CID 650281
N-(5-bromopyridin-2-yl)-3-(2-oxochromen-3-yl)benzamide
CID 2044442

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide (CID 171350520) is N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)Nc1ccc(Br)cn1)=C2.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide?
The InChIKey is DBCKANCZAPKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-21-13-4-2-3-10-7-11(9-22-15(10)13)16(20)19-14-6-5-12(17)8-18-14/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide?
N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 171350520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).