2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide

C12H18BrN3O2 — CID 114193926

IUPAC2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
SMILESCCCCOCCNC(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H18BrN3O2/c1-2-3-5-18-6-4-15-12(17)9-7-11(14)16-8-10(9)13/h7-8H,2-6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYHEHDXFAKYBHCS-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.97
Rot. Bonds7

About 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide

2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide (PubChem CID 114193926) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
PubChem CID114193926
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
SMILESCCCCOCCNC(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H18BrN3O2/c1-2-3-5-18-6-4-15-12(17)9-7-11(14)16-8-10(9)13/h7-8H,2-6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYHEHDXFAKYBHCS-UHFFFAOYSA-N
XLogP1.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114193960
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide (CID 114193926) is 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide is CCCCOCCNC(=O)c1cc(N)ncc1Br.
What is the InChIKey of 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide?
The InChIKey is YHEHDXFAKYBHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-2-3-5-18-6-4-15-12(17)9-7-11(14)16-8-10(9)13/h7-8H,2-6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114193926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).