2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine

C15H14N4 — CID 79173234

IUPAC2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2cccc3cnccc23)ncc1N
InChIInChI=1S/C15H14N4/c1-10-7-15(18-9-13(10)16)19-14-4-2-3-11-8-17-6-5-12(11)14/h2-9H,16H2,1H3,(H,18,19)
InChIKeyFQEBSLXZMFDIHE-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.26
Rot. Bonds2

About 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine

2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine (PubChem CID 79173234) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
PubChem CID79173234
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2cccc3cnccc23)ncc1N
InChIInChI=1S/C15H14N4/c1-10-7-15(18-9-13(10)16)19-14-4-2-3-11-8-17-6-5-12(11)14/h2-9H,16H2,1H3,(H,18,19)
InChIKeyFQEBSLXZMFDIHE-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
CID 80789594
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
CID 43808553
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
4-bromo-5-fluoro-1-N-isoquinolin-5-ylbenzene-1,2-diamine
CID 66111882
N-[6-(4-methylthiophen-2-yl)pyrimidin-4-yl]isoquinolin-5-amine
CID 69159457
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
CID 55011951
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
CID 103078111
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588

Frequently Asked Questions

What is the IUPAC name of 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine (CID 79173234) is 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine is Cc1cc(Nc2cccc3cnccc23)ncc1N.
What is the InChIKey of 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine?
The InChIKey is FQEBSLXZMFDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10-7-15(18-9-13(10)16)19-14-4-2-3-11-8-17-6-5-12(11)14/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine?
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79173234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).