N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide

C16H19BrN4O — CID 119529446

IUPACN-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncc(Br)cc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C16H19BrN4O/c1-21(2)15-13(8-12(17)9-19-15)16(22)20-10-14(18)11-6-4-3-5-7-11/h3-9,14H,10,18H2,1-2H3,(H,20,22)
InChIKeyHOYMCNVGQWOSOJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.34
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide

N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 119529446) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID119529446
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncc(Br)cc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C16H19BrN4O/c1-21(2)15-13(8-12(17)9-19-15)16(22)20-10-14(18)11-6-4-3-5-7-11/h3-9,14H,10,18H2,1-2H3,(H,20,22)
InChIKeyHOYMCNVGQWOSOJ-UHFFFAOYSA-N
XLogP2.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119998007
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319
N-(2-amino-2-phenylethyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 63120519
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63120557
N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671379
N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 119527886
propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
CID 133054467
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide (CID 119529446) is N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncc(Br)cc1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is HOYMCNVGQWOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-21(2)15-13(8-12(17)9-19-15)16(22)20-10-14(18)11-6-4-3-5-7-11/h3-9,14H,10,18H2,1-2H3,(H,20,22).
What are the key properties of N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 119529446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).