2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine

C14H18N4O — CID 115376043

IUPAC2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H18N4O/c1-18(2)11-6-4-5-10(9-11)16-14-12(15)7-8-13(17-14)19-3/h4-9H,15H2,1-3H3,(H,16,17)
InChIKeyHPPODAJGCWKLQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds4

About 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine

2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine (PubChem CID 115376043) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
PubChem CID115376043
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H18N4O/c1-18(2)11-6-4-5-10(9-11)16-14-12(15)7-8-13(17-14)19-3/h4-9H,15H2,1-3H3,(H,16,17)
InChIKeyHPPODAJGCWKLQX-UHFFFAOYSA-N
XLogP2.48
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine (CID 115376043) is 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(Nc2cccc(N(C)C)c2)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine?
The InChIKey is HPPODAJGCWKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)11-6-4-5-10(9-11)16-14-12(15)7-8-13(17-14)19-3/h4-9H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine?
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115376043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).