N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide

C20H18BrN3O — CID 23632786

IUPACN-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccnc1NCCc1ccccc1
InChIInChI=1S/C20H18BrN3O/c21-17-10-4-5-11-18(17)24-20(25)16-9-6-13-22-19(16)23-14-12-15-7-2-1-3-8-15/h1-11,13H,12,14H2,(H,22,23)(H,24,25)
InChIKeyBGUULMROICHUOB-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.75
Rot. Bonds6

About N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide

N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 23632786) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID23632786
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccnc1NCCc1ccccc1
InChIInChI=1S/C20H18BrN3O/c21-17-10-4-5-11-18(17)24-20(25)16-9-6-13-22-19(16)23-14-12-15-7-2-1-3-8-15/h1-11,13H,12,14H2,(H,22,23)(H,24,25)
InChIKeyBGUULMROICHUOB-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
CID 23632780
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
CID 19628130
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1440949

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide (CID 23632786) is N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide is O=C(Nc1ccccc1Br)c1cccnc1NCCc1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is BGUULMROICHUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-17-10-4-5-11-18(17)24-20(25)16-9-6-13-22-19(16)23-14-12-15-7-2-1-3-8-15/h1-11,13H,12,14H2,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 23632786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).