5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine

C13H14BrN3 — CID 104531868

IUPAC5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESCCN(Cc1ccccn1)c1cncc(Br)c1
InChIInChI=1S/C13H14BrN3/c1-2-17(10-12-5-3-4-6-16-12)13-7-11(14)8-15-9-13/h3-9H,2,10H2,1H3
InChIKeyPTYKJEVEURZOOD-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine

5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine (PubChem CID 104531868) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
PubChem CID104531868
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESCCN(Cc1ccccn1)c1cncc(Br)c1
InChIInChI=1S/C13H14BrN3/c1-2-17(10-12-5-3-4-6-16-12)13-7-11(14)8-15-9-13/h3-9H,2,10H2,1H3
InChIKeyPTYKJEVEURZOOD-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898
(1R)-1-[5-[ethyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132096
N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 115877394
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
CID 79255784
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80632829

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine (CID 104531868) is 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine is CCN(Cc1ccccn1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The InChIKey is PTYKJEVEURZOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-2-17(10-12-5-3-4-6-16-12)13-7-11(14)8-15-9-13/h3-9H,2,10H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine has a molecular weight of 292.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 104531868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).