2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine

C21H22N4 — CID 143559691

IUPAC2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine
SMILESC=C(Nc1cc(-c2ccncc2)ccc1N)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H22N4/c1-15(16-4-7-19(8-5-16)25(2)3)24-21-14-18(6-9-20(21)22)17-10-12-23-13-11-17/h4-14,24H,1,22H2,2-3H3
InChIKeyLDXXMKLDCNXKHD-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.48
Rot. Bonds5

About 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine

2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine (PubChem CID 143559691) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine
PubChem CID143559691
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine
SMILESC=C(Nc1cc(-c2ccncc2)ccc1N)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H22N4/c1-15(16-4-7-19(8-5-16)25(2)3)24-21-14-18(6-9-20(21)22)17-10-12-23-13-11-17/h4-14,24H,1,22H2,2-3H3
InChIKeyLDXXMKLDCNXKHD-UHFFFAOYSA-N
XLogP4.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
4-(Pyridin-2-yl)aniline
CID 459518
8-Quinolinamine, 4-methyl-
CID 97374
AG1295
CID 2048
3-(2-Quinoxalinyl)aniline
CID 807264
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
1-(5-Phenylpyridin-3-yl)-1,4-diazepane
CID 10777277
4-(Quinoxalin-2-yl)aniline
CID 761862
3-(2-Pyridin-4-ylethyl)aniline
CID 5200230
4-[(Pyridin-4-yl)methyl]aniline
CID 307158
3-(Pyridin-3-yl)aniline
CID 459521
8-Quinolinamine, 6-methyl-
CID 110237

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine (CID 143559691) is 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine is C=C(Nc1cc(-c2ccncc2)ccc1N)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine?
The InChIKey is LDXXMKLDCNXKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15(16-4-7-19(8-5-16)25(2)3)24-21-14-18(6-9-20(21)22)17-10-12-23-13-11-17/h4-14,24H,1,22H2,2-3H3.
What are the key properties of 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine?
2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine has a molecular weight of 330.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[4-(dimethylamino)phenyl]ethenyl]-4-pyridin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 143559691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).