N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide

C22H15BrN2O3 — CID 1258911

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br
InChIInChI=1S/C22H15BrN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26)
InChIKeyLZDQKGBRYFXSLM-UHFFFAOYSA-N
MW435.28 g/mol
LogP5.18
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 1258911) has the molecular formula C22H15BrN2O3 and a molecular weight of 435.28 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID1258911
Molecular FormulaC22H15BrN2O3
Molecular Weight435.28 g/mol
Exact Mass434.03
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br
InChIInChI=1S/C22H15BrN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26)
InChIKeyLZDQKGBRYFXSLM-UHFFFAOYSA-N
XLogP5.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.28
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
CID 3558784
N-(5-bromo-6-methylpyridin-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide
CID 1999124
N-(6-methyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 2312902
3,3-dimethyl-N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)butanamide
CID 3236750
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)pentanamide
CID 3241673
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide
CID 3242274
2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 4137748
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide
CID 4146378
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-phenylacetamide
CID 4462518
N-(6-methylpyridin-2-yl)-9H-xanthene-9-carboxamide
CID 1116305
N-(5-bromopyridin-2-yl)-3-(2-oxochromen-3-yl)benzamide
CID 2044442
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)benzamide
CID 4197169

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide (CID 1258911) is N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide is Cc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is LZDQKGBRYFXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 435.28 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 1258911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).