2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C21H20BrN3O — CID 23632949

IUPAC2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)cc1
InChIInChI=1S/C21H20BrN3O/c1-14(2)15-8-10-17(11-9-15)25-21(26)19-7-4-12-23-20(19)24-18-6-3-5-16(22)13-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyXVUKYYLHLWESTN-UHFFFAOYSA-N
MW410.32 g/mol
LogP5.96
Rot. Bonds5

About 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 23632949) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID23632949
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC Name2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)cc1
InChIInChI=1S/C21H20BrN3O/c1-14(2)15-8-10-17(11-9-15)25-21(26)19-7-4-12-23-20(19)24-18-6-3-5-16(22)13-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyXVUKYYLHLWESTN-UHFFFAOYSA-N
XLogP5.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.32
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23633012
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 23632949) is 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is XVUKYYLHLWESTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c1-14(2)15-8-10-17(11-9-15)25-21(26)19-7-4-12-23-20(19)24-18-6-3-5-16(22)13-18/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).