N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide

C17H20BrN3O — CID 119526197

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C17H20BrN3O/c1-11(2)12-3-5-13(6-4-12)15(19)10-21-17(22)16-8-7-14(18)9-20-16/h3-9,11,15H,10,19H2,1-2H3,(H,21,22)
InChIKeyLWFZHQSCXWIWJC-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.40
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide (PubChem CID 119526197) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
PubChem CID119526197
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C17H20BrN3O/c1-11(2)12-3-5-13(6-4-12)15(19)10-21-17(22)16-8-7-14(18)9-20-16/h3-9,11,15H,10,19H2,1-2H3,(H,21,22)
InChIKeyLWFZHQSCXWIWJC-UHFFFAOYSA-N
XLogP3.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 119527283
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide (CID 119526197) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide is CC(C)c1ccc(C(N)CNC(=O)c2ccc(Br)cn2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide?
The InChIKey is LWFZHQSCXWIWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11(2)12-3-5-13(6-4-12)15(19)10-21-17(22)16-8-7-14(18)9-20-16/h3-9,11,15H,10,19H2,1-2H3,(H,21,22).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 119526197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).