3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine

C22H23N3 — CID 89066576

IUPAC3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine
SMILESC=C(C)c1cccc(-c2ccc(Nc3cccc(N(C)C)c3)nc2)c1
InChIInChI=1S/C22H23N3/c1-16(2)17-7-5-8-18(13-17)19-11-12-22(23-15-19)24-20-9-6-10-21(14-20)25(3)4/h5-15H,1H2,2-4H3,(H,23,24)
InChIKeyGGRFYGULQOLLTA-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.59
Rot. Bonds5

About 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine (PubChem CID 89066576) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine
PubChem CID89066576
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine
SMILESC=C(C)c1cccc(-c2ccc(Nc3cccc(N(C)C)c3)nc2)c1
InChIInChI=1S/C22H23N3/c1-16(2)17-7-5-8-18(13-17)19-11-12-22(23-15-19)24-20-9-6-10-21(14-20)25(3)4/h5-15H,1H2,2-4H3,(H,23,24)
InChIKeyGGRFYGULQOLLTA-UHFFFAOYSA-N
XLogP5.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine (CID 89066576) is 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine is C=C(C)c1cccc(-c2ccc(Nc3cccc(N(C)C)c3)nc2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine?
The InChIKey is GGRFYGULQOLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-16(2)17-7-5-8-18(13-17)19-11-12-22(23-15-19)24-20-9-6-10-21(14-20)25(3)4/h5-15H,1H2,2-4H3,(H,23,24).
What are the key properties of 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine has a molecular weight of 329.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[5-(3-prop-1-en-2-ylphenyl)-2-pyridinyl]benzene-1,3-diamine is sourced from PubChem (CID 89066576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).