5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine

C13H15N3O — CID 104534075

IUPAC5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
SMILESCOc1cccc(N(C)c2cncc(N)c2)c1
InChIInChI=1S/C13H15N3O/c1-16(12-6-10(14)8-15-9-12)11-4-3-5-13(7-11)17-2/h3-9H,14H2,1-2H3
InChIKeyKKRABPPBYODMHE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.44
Rot. Bonds3

About 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine

5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine (PubChem CID 104534075) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
PubChem CID104534075
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
SMILESCOc1cccc(N(C)c2cncc(N)c2)c1
InChIInChI=1S/C13H15N3O/c1-16(12-6-10(14)8-15-9-12)11-4-3-5-13(7-11)17-2/h3-9H,14H2,1-2H3
InChIKeyKKRABPPBYODMHE-UHFFFAOYSA-N
XLogP2.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-methoxyphenyl)-3-N,5-dimethylbenzene-1,3-diamine
CID 112647626
4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
CID 79918567
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 80738542
6-(1-aminoethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 83123026
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973
3-methoxy-N,N-disilylaniline
CID 149149494
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231344
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine (CID 104534075) is 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine is COc1cccc(N(C)c2cncc(N)c2)c1.
What is the InChIKey of 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine?
The InChIKey is KKRABPPBYODMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(12-6-10(14)8-15-9-12)11-4-3-5-13(7-11)17-2/h3-9H,14H2,1-2H3.
What are the key properties of 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine?
5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine has a molecular weight of 229.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104534075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).