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

C20H18BrN3O — CID 109172229

IUPAC2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2ccccc2Br)c1
InChIInChI=1S/C20H18BrN3O/c21-17-8-4-5-9-18(17)24-19-14-16(11-13-22-19)20(25)23-12-10-15-6-2-1-3-7-15/h1-9,11,13-14H,10,12H2,(H,22,24)(H,23,25)
InChIKeyTXSAQTUUWDFQEX-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.56
Rot. Bonds6

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

2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 109172229) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
PubChem CID109172229
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2ccccc2Br)c1
InChIInChI=1S/C20H18BrN3O/c21-17-8-4-5-9-18(17)24-19-14-16(11-13-22-19)20(25)23-12-10-15-6-2-1-3-7-15/h1-9,11,13-14H,10,12H2,(H,22,24)(H,23,25)
InChIKeyTXSAQTUUWDFQEX-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707
2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172648
N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109173836
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228
2-(2-bromoanilino)-N,N-dipropylpyridine-4-carboxamide
CID 109175871
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172487

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide (CID 109172229) is 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide is O=C(NCCc1ccccc1)c1ccnc(Nc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is TXSAQTUUWDFQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-17-8-4-5-9-18(17)24-19-14-16(11-13-22-19)20(25)23-12-10-15-6-2-1-3-7-15/h1-9,11,13-14H,10,12H2,(H,22,24)(H,23,25).
What are the key properties of 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide?
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109172229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).