6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine

C13H16N4O — CID 79826816

IUPAC6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
SMILESCOc1cccc(CNc2ccc(N)c(N)n2)c1
InChIInChI=1S/C13H16N4O/c1-18-10-4-2-3-9(7-10)8-16-12-6-5-11(14)13(15)17-12/h2-7H,8,14H2,1H3,(H3,15,16,17)
InChIKeyONZHJYNXYIWGRX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.87
Rot. Bonds4

About 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine

6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine (PubChem CID 79826816) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
PubChem CID79826816
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
SMILESCOc1cccc(CNc2ccc(N)c(N)n2)c1
InChIInChI=1S/C13H16N4O/c1-18-10-4-2-3-9(7-10)8-16-12-6-5-11(14)13(15)17-12/h2-7H,8,14H2,1H3,(H3,15,16,17)
InChIKeyONZHJYNXYIWGRX-UHFFFAOYSA-N
XLogP1.87
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
N-[2-amino-6-[(3-methoxyphenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 110178844
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 114405610
2-N-benzyl-6-methoxypyridine-2,5-diamine
CID 43261004
3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
CID 80647155

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine (CID 79826816) is 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine is COc1cccc(CNc2ccc(N)c(N)n2)c1.
What is the InChIKey of 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine?
The InChIKey is ONZHJYNXYIWGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-10-4-2-3-9(7-10)8-16-12-6-5-11(14)13(15)17-12/h2-7H,8,14H2,1H3,(H3,15,16,17).
What are the key properties of 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine?
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine has a molecular weight of 244.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79826816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).