5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine

C12H13BrN4 — CID 103517711

IUPAC5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Br)c1ccncc1
InChIInChI=1S/C12H13BrN4/c1-8(9-2-4-15-5-3-9)17-12-10(13)6-16-7-11(12)14/h2-8H,14H2,1H3,(H,16,17)
InChIKeyDDIXIKKRQWCHFB-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.99
Rot. Bonds3

About 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine

5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine (PubChem CID 103517711) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
PubChem CID103517711
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Br)c1ccncc1
InChIInChI=1S/C12H13BrN4/c1-8(9-2-4-15-5-3-9)17-12-10(13)6-16-7-11(12)14/h2-8H,14H2,1H3,(H,16,17)
InChIKeyDDIXIKKRQWCHFB-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518204
5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine (CID 103517711) is 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine is CC(Nc1c(N)cncc1Br)c1ccncc1.
What is the InChIKey of 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine?
The InChIKey is DDIXIKKRQWCHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8(9-2-4-15-5-3-9)17-12-10(13)6-16-7-11(12)14/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine?
5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).