2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide

C16H18BrN3O — CID 62986651

IUPAC2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1cc(Br)cnc1N)c1ccccc1
InChIInChI=1S/C16H18BrN3O/c1-11(12-5-3-2-4-6-12)7-8-19-16(21)14-9-13(17)10-20-15(14)18/h2-6,9-11H,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyWQEQGWJDHHAHDB-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.35
Rot. Bonds5

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

2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide (PubChem CID 62986651) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
PubChem CID62986651
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1cc(Br)cnc1N)c1ccccc1
InChIInChI=1S/C16H18BrN3O/c1-11(12-5-3-2-4-6-12)7-8-19-16(21)14-9-13(17)10-20-15(14)18/h2-6,9-11H,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyWQEQGWJDHHAHDB-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 142412297
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
CID 80999630
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
N-(3-phenylbutyl)benzamide
CID 62403316

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide (CID 62986651) is 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide is CC(CCNC(=O)c1cc(Br)cnc1N)c1ccccc1.
What is the InChIKey of 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is WQEQGWJDHHAHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(12-5-3-2-4-6-12)7-8-19-16(21)14-9-13(17)10-20-15(14)18/h2-6,9-11H,7-8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.35, 5 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-(3-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 62986651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).