1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine

C16H16N4O — CID 167052643

IUPAC1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine
SMILESCOc1ccc(Nc2nccc3c(N)c(C)ccc23)cn1
InChIInChI=1S/C16H16N4O/c1-10-3-5-13-12(15(10)17)7-8-18-16(13)20-11-4-6-14(21-2)19-9-11/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyRXDCUKODTDZOPP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.27
Rot. Bonds3

About 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine

1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine (PubChem CID 167052643) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine.

Molecular Properties

Compound Name1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine
PubChem CID167052643
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine
SMILESCOc1ccc(Nc2nccc3c(N)c(C)ccc23)cn1
InChIInChI=1S/C16H16N4O/c1-10-3-5-13-12(15(10)17)7-8-18-16(13)20-11-4-6-14(21-2)19-9-11/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyRXDCUKODTDZOPP-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
CID 134160490
1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 171351890
3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
CID 80510972
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
1-N-(4-fluorophenyl)-8-methylisoquinoline-1,5-diamine
CID 82570630
4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
CID 167462490
methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate
CID 61306530
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548475
4-[3-[(6-methoxy-3-pyridinyl)amino]-4-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548250
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine?
The IUPAC name of 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine (CID 167052643) is 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine.
What is the SMILES notation for 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine?
The canonical SMILES for 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine is COc1ccc(Nc2nccc3c(N)c(C)ccc23)cn1.
What is the InChIKey of 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine?
The InChIKey is RXDCUKODTDZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-5-13-12(15(10)17)7-8-18-16(13)20-11-4-6-14(21-2)19-9-11/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine?
1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine has a molecular weight of 280.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxy-3-pyridinyl)-6-methylisoquinoline-1,5-diamine is sourced from PubChem (CID 167052643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).