2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

C14H12BrCl2N3O — CID 63500588

IUPAC2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2N3O/c1-7(10-3-2-9(16)5-12(10)17)20-14(21)11-4-8(15)6-19-13(11)18/h2-7H,1H3,(H2,18,19)(H,20,21)
InChIKeyIDMPYYIDZQIFJX-UHFFFAOYSA-N
MW389.08 g/mol
LogP4.22
Rot. Bonds3

About 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 63500588) has the molecular formula C14H12BrCl2N3O and a molecular weight of 389.08 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID63500588
Molecular FormulaC14H12BrCl2N3O
Molecular Weight389.08 g/mol
Exact Mass386.95
IUPAC Name2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2N3O/c1-7(10-3-2-9(16)5-12(10)17)20-14(21)11-4-8(15)6-19-13(11)18/h2-7H,1H3,(H2,18,19)(H,20,21)
InChIKeyIDMPYYIDZQIFJX-UHFFFAOYSA-N
XLogP4.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.08
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 62160777
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60628969
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 62000639
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (CID 63500588) is 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cc(Br)cnc1N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is IDMPYYIDZQIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N3O/c1-7(10-3-2-9(16)5-12(10)17)20-14(21)11-4-8(15)6-19-13(11)18/h2-7H,1H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 389.08 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63500588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).