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

C23H18BrN3O2 — CID 51367429

IUPAC6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
SMILESCc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1C
InChIInChI=1S/C23H18BrN3O2/c1-14-6-5-7-19(15(14)2)26-23-18(22(28)27-21-8-3-4-11-25-21)13-16-12-17(24)9-10-20(16)29-23/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyDUFCHQOSQLJJBM-RWEWTDSWSA-N
MW448.32 g/mol
LogP5.69
Rot. Bonds3

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

6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 51367429) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID51367429
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
SMILESCc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1C
InChIInChI=1S/C23H18BrN3O2/c1-14-6-5-7-19(15(14)2)26-23-18(22(28)27-21-8-3-4-11-25-21)13-16-12-17(24)9-10-20(16)29-23/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyDUFCHQOSQLJJBM-RWEWTDSWSA-N
XLogP5.69
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
2-(3-fluoro-2-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367754
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide
CID 45146908
6-bromo-N-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenyl)iminochromene-3-carboxamide
CID 3964221
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367465
6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4049008
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide (CID 51367429) is 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide is Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1C.
What is the InChIKey of 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is DUFCHQOSQLJJBM-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c1-14-6-5-7-19(15(14)2)26-23-18(22(28)27-21-8-3-4-11-25-21)13-16-12-17(24)9-10-20(16)29-23/h3-13H,1-2H3,(H,25,27,28)/b26-23-.
What are the key properties of 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide?
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 448.32 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 51367429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).