N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane

C28H35N5 — CID 142583548

IUPACN-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane
SMILESC=C(Nc1cc2nc(-c3cncn3C)ccc2cn1)c1cccc(CC)c1.CCCCCC
InChIInChI=1S/C22H21N5.C6H14/c1-4-16-6-5-7-17(10-16)15(2)25-22-11-20-18(12-24-22)8-9-19(26-20)21-13-23-14-27(21)3;1-3-5-6-4-2/h5-14H,2,4H2,1,3H3,(H,24,25);3-6H2,1-2H3
InChIKeyGQMGGSRUISWXKQ-UHFFFAOYSA-N
MW441.62 g/mol
LogP7.26
Rot. Bonds8

About N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane

N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane (PubChem CID 142583548) has the molecular formula C28H35N5 and a molecular weight of 441.62 g/mol. Its IUPAC name is N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane.

Molecular Properties

Compound NameN-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane
PubChem CID142583548
Molecular FormulaC28H35N5
Molecular Weight441.62 g/mol
Exact Mass441.29
IUPAC NameN-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane
SMILESC=C(Nc1cc2nc(-c3cncn3C)ccc2cn1)c1cccc(CC)c1.CCCCCC
InChIInChI=1S/C22H21N5.C6H14/c1-4-16-6-5-7-17(10-16)15(2)25-22-11-20-18(12-24-22)8-9-19(26-20)21-13-23-14-27(21)3;1-3-5-6-4-2/h5-14H,2,4H2,1,3H3,(H,24,25);3-6H2,1-2H3
InChIKeyGQMGGSRUISWXKQ-UHFFFAOYSA-N
XLogP7.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138588243
N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166787296
1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 158256787
6-(3-methylimidazol-4-yl)-N-[3-(2-methylprop-1-enylsulfanyl)buta-1,3-dien-2-yl]isoquinolin-3-amine
CID 142575147
5-fluoro-6-[1-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]amino]ethenyl]benzene-1,2,3,4-tetrol
CID 138579889
N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide
CID 164526063
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
5-[3-[1-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenylamino]isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 166786936
CID 142562796
CID 142562796
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
CID 166954769

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane?
The IUPAC name of N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane (CID 142583548) is N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane.
What is the SMILES notation for N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane?
The canonical SMILES for N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane is C=C(Nc1cc2nc(-c3cncn3C)ccc2cn1)c1cccc(CC)c1.CCCCCC.
What is the InChIKey of N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane?
The InChIKey is GQMGGSRUISWXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5.C6H14/c1-4-16-6-5-7-17(10-16)15(2)25-22-11-20-18(12-24-22)8-9-19(26-20)21-13-23-14-27(21)3;1-3-5-6-4-2/h5-14H,2,4H2,1,3H3,(H,24,25);3-6H2,1-2H3.
What are the key properties of N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane?
N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane has a molecular weight of 441.62 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylphenyl)ethenyl]-2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-amine;hexane is sourced from PubChem (CID 142583548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).