2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide

C12H15BrN4O — CID 114193919

IUPAC2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H15BrN4O/c1-3-17(7-8(2)5-14)12(18)9-4-11(15)16-6-10(9)13/h4,6,8H,3,7H2,1-2H3,(H2,15,16)
InChIKeyWXSUYPGOWNWHJQ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide

2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide (PubChem CID 114193919) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
PubChem CID114193919
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H15BrN4O/c1-3-17(7-8(2)5-14)12(18)9-4-11(15)16-6-10(9)13/h4,6,8H,3,7H2,1-2H3,(H2,15,16)
InChIKeyWXSUYPGOWNWHJQ-UHFFFAOYSA-N
XLogP2.05
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486
2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 114193918
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide
CID 65359780
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908
N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63861022

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide (CID 114193919) is 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide is CCN(CC(C)C#N)C(=O)c1cc(N)ncc1Br.
What is the InChIKey of 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide?
The InChIKey is WXSUYPGOWNWHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-3-17(7-8(2)5-14)12(18)9-4-11(15)16-6-10(9)13/h4,6,8H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide?
2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 114193919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).