4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine

C15H13BrN4 — CID 122457563

IUPAC4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine
SMILESNc1ncc2ccc(CNc3ccncc3)cc2c1Br
InChIInChI=1S/C15H13BrN4/c16-14-13-7-10(1-2-11(13)9-20-15(14)17)8-19-12-3-5-18-6-4-12/h1-7,9H,8H2,(H2,17,20)(H,18,19)
InChIKeyOGJHFFDEYURCPU-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.59
Rot. Bonds3

About 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine

4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine (PubChem CID 122457563) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine.

Molecular Properties

Compound Name4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine
PubChem CID122457563
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine
SMILESNc1ncc2ccc(CNc3ccncc3)cc2c1Br
InChIInChI=1S/C15H13BrN4/c16-14-13-7-10(1-2-11(13)9-20-15(14)17)8-19-12-3-5-18-6-4-12/h1-7,9H,8H2,(H2,17,20)(H,18,19)
InChIKeyOGJHFFDEYURCPU-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
1-N-(pyridin-4-ylmethyl)isoquinoline-1,7-diamine
CID 82570100
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine
CID 59341927
1-N-(isoquinolin-6-ylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 107037855
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
CID 113452020
3,5-difluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037597

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine?
The IUPAC name of 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine (CID 122457563) is 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine.
What is the SMILES notation for 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine?
The canonical SMILES for 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine is Nc1ncc2ccc(CNc3ccncc3)cc2c1Br.
What is the InChIKey of 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine?
The InChIKey is OGJHFFDEYURCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c16-14-13-7-10(1-2-11(13)9-20-15(14)17)8-19-12-3-5-18-6-4-12/h1-7,9H,8H2,(H2,17,20)(H,18,19).
What are the key properties of 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine?
4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine has a molecular weight of 329.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(pyridin-4-ylamino)methyl]isoquinolin-3-amine is sourced from PubChem (CID 122457563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).