6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide

C22H16BrN3O3 — CID 51367432

IUPAC6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1
InChIInChI=1S/C22H16BrN3O3/c1-28-17-6-4-5-16(13-17)25-22-18(21(27)26-20-7-2-3-10-24-20)12-14-11-15(23)8-9-19(14)29-22/h2-13H,1H3,(H,24,26,27)/b25-22-
InChIKeyAKFNMIGABOUTIH-LVWGJNHUSA-N
MW450.29 g/mol
LogP5.08
Rot. Bonds4

About 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide

6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 51367432) has the molecular formula C22H16BrN3O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID51367432
Molecular FormulaC22H16BrN3O3
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC Name6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1
InChIInChI=1S/C22H16BrN3O3/c1-28-17-6-4-5-16(13-17)25-22-18(21(27)26-20-7-2-3-10-24-20)12-14-11-15(23)8-9-19(14)29-22/h2-13H,1H3,(H,24,26,27)/b25-22-
InChIKeyAKFNMIGABOUTIH-LVWGJNHUSA-N
XLogP5.08
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
6-bromo-2-(3-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367489
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 4986523
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367492
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide (CID 51367432) is 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide is COc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1.
What is the InChIKey of 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is AKFNMIGABOUTIH-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H16BrN3O3/c1-28-17-6-4-5-16(13-17)25-22-18(21(27)26-20-7-2-3-10-24-20)12-14-11-15(23)8-9-19(14)29-22/h2-13H,1H3,(H,24,26,27)/b25-22-.
What are the key properties of 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 450.29 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 51367432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).