1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C20H21N3O — CID 46209105

IUPAC1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1cccc(-c2ccc(Nc3cccc(N(C)C)c3)nc2)c1
InChIInChI=1S/C20H21N3O/c1-23(2)18-8-5-7-17(13-18)22-20-11-10-16(14-21-20)15-6-4-9-19(12-15)24-3/h4-14H,1-3H3,(H,21,22)
InChIKeyAOSGJPKFOGKKQX-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.57
Rot. Bonds5

About 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 46209105) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID46209105
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1cccc(-c2ccc(Nc3cccc(N(C)C)c3)nc2)c1
InChIInChI=1S/C20H21N3O/c1-23(2)18-8-5-7-17(13-18)22-20-11-10-16(14-21-20)15-6-4-9-19(12-15)24-3/h4-14H,1-3H3,(H,21,22)
InChIKeyAOSGJPKFOGKKQX-UHFFFAOYSA-N
XLogP4.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 46209105) is 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine is COc1cccc(-c2ccc(Nc3cccc(N(C)C)c3)nc2)c1.
What is the InChIKey of 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is AOSGJPKFOGKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(2)18-8-5-7-17(13-18)22-20-11-10-16(14-21-20)15-6-4-9-19(12-15)24-3/h4-14H,1-3H3,(H,21,22).
What are the key properties of 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 46209105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).