2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide

C14H13BrClN3O — CID 62160777

IUPAC2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1N)c1ccccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-8(10-4-2-3-5-12(10)16)19-14(20)11-6-9(15)7-18-13(11)17/h2-8H,1H3,(H2,17,18)(H,19,20)
InChIKeyHTQWLJPTWDNTOY-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.57
Rot. Bonds3

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

2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 62160777) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID62160777
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1N)c1ccccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-8(10-4-2-3-5-12(10)16)19-14(20)11-6-9(15)7-18-13(11)17/h2-8H,1H3,(H2,17,18)(H,19,20)
InChIKeyHTQWLJPTWDNTOY-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 63500588
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
CID 118110158
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
2-amino-5-bromo-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 55042996
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 62160777) is 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cc(Br)cnc1N)c1ccccc1Cl.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is HTQWLJPTWDNTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-8(10-4-2-3-5-12(10)16)19-14(20)11-6-9(15)7-18-13(11)17/h2-8H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 3.57, 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-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62160777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).