5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

C20H18BrN3O — CID 109188944

IUPAC5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2cccc(Br)c2)cn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-6-3-2-4-7-15)23-20(25)19-11-10-18(13-22-19)24-17-9-5-8-16(21)12-17/h2-14,24H,1H3,(H,23,25)
InChIKeyYCVRECNVNZRTBW-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.08
Rot. Bonds5

About 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109188944) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109188944
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2cccc(Br)c2)cn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-6-3-2-4-7-15)23-20(25)19-11-10-18(13-22-19)24-17-9-5-8-16(21)12-17/h2-14,24H,1H3,(H,23,25)
InChIKeyYCVRECNVNZRTBW-UHFFFAOYSA-N
XLogP5.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-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

N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640557
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170111
5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188912
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198855
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
N-[1-(3-bromophenyl)ethyl]-5-carbamothioylpyridine-2-carboxamide
CID 63748669

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109188944) is 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(Nc2cccc(Br)c2)cn1)c1ccccc1.
What is the InChIKey of 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is YCVRECNVNZRTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14(15-6-3-2-4-7-15)23-20(25)19-11-10-18(13-22-19)24-17-9-5-8-16(21)12-17/h2-14,24H,1H3,(H,23,25).
What are the key properties of 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).