2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide

C20H18BrN3O — CID 109170111

IUPAC2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Nc2cccc(Br)c2)c1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-6-3-2-4-7-15)23-20(25)16-10-11-22-19(12-16)24-18-9-5-8-17(21)13-18/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyIUKSNBPWVMSCBB-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.08
Rot. Bonds5

About 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide

2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 109170111) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID109170111
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Nc2cccc(Br)c2)c1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-6-3-2-4-7-15)23-20(25)16-10-11-22-19(12-16)24-18-9-5-8-17(21)13-18/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyIUKSNBPWVMSCBB-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

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170096
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide (CID 109170111) is 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccnc(Nc2cccc(Br)c2)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is IUKSNBPWVMSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14(15-6-3-2-4-7-15)23-20(25)16-10-11-22-19(12-16)24-18-9-5-8-17(21)13-18/h2-14H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide?
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-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 2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).