N-(2-aminobutyl)-5-bromopyridine-2-carboxamide

C10H14BrN3O — CID 63731150

IUPACN-(2-aminobutyl)-5-bromopyridine-2-carboxamide
SMILESCCC(N)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-2-8(12)6-14-10(15)9-4-3-7(11)5-13-9/h3-5,8H,2,6,12H2,1H3,(H,14,15)
InChIKeySWGVVEBAMMMUFT-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.31
Rot. Bonds4

About N-(2-aminobutyl)-5-bromopyridine-2-carboxamide

N-(2-aminobutyl)-5-bromopyridine-2-carboxamide (PubChem CID 63731150) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-(2-aminobutyl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-5-bromopyridine-2-carboxamide
PubChem CID63731150
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC NameN-(2-aminobutyl)-5-bromopyridine-2-carboxamide
SMILESCCC(N)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-2-8(12)6-14-10(15)9-4-3-7(11)5-13-9/h3-5,8H,2,6,12H2,1H3,(H,14,15)
InChIKeySWGVVEBAMMMUFT-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-5-bromopyridine-2-carboxamide (CID 63731150) is N-(2-aminobutyl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-5-bromopyridine-2-carboxamide is CCC(N)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of N-(2-aminobutyl)-5-bromopyridine-2-carboxamide?
The InChIKey is SWGVVEBAMMMUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-8(12)6-14-10(15)9-4-3-7(11)5-13-9/h3-5,8H,2,6,12H2,1H3,(H,14,15).
What are the key properties of N-(2-aminobutyl)-5-bromopyridine-2-carboxamide?
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 63731150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).