6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide

C25H22BrN3O2 — CID 51367342

IUPAC6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C25H22BrN3O2/c1-15(2)17-7-10-20(11-8-17)28-25-21(14-18-13-19(26)9-12-22(18)31-25)24(30)29-23-6-4-5-16(3)27-23/h4-15H,1-3H3,(H,27,29,30)/b28-25-
InChIKeyOSDWBPWNYINWEA-FVDSYPCUSA-N
MW476.37 g/mol
LogP6.51
Rot. Bonds4

About 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide

6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide (PubChem CID 51367342) has the molecular formula C25H22BrN3O2 and a molecular weight of 476.37 g/mol. Its IUPAC name is 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
PubChem CID51367342
Molecular FormulaC25H22BrN3O2
Molecular Weight476.37 g/mol
Exact Mass475.09
IUPAC Name6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C25H22BrN3O2/c1-15(2)17-7-10-20(11-8-17)28-25-21(14-18-13-19(26)9-12-22(18)31-25)24(30)29-23-6-4-5-16(3)27-23/h4-15H,1-3H3,(H,27,29,30)/b28-25-
InChIKeyOSDWBPWNYINWEA-FVDSYPCUSA-N
XLogP6.51
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
2-(4-ethoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367828
N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367871
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
CID 1212142

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide (CID 51367342) is 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
The InChIKey is OSDWBPWNYINWEA-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H22BrN3O2/c1-15(2)17-7-10-20(11-8-17)28-25-21(14-18-13-19(26)9-12-22(18)31-25)24(30)29-23-6-4-5-16(3)27-23/h4-15H,1-3H3,(H,27,29,30)/b28-25-.
What are the key properties of 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide has a molecular weight of 476.37 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 51367342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).