N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine

C26H32N6 — CID 170610396

IUPACN-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
SMILES[H]/N=C(\C)c1c(N)cnc2nc(-c3ccc(C(=C)NCCN(C)C)cc3)c3c(c12)CCCC3
InChIInChI=1S/C26H32N6/c1-16(27)23-22(28)15-30-26-24(23)20-7-5-6-8-21(20)25(31-26)19-11-9-18(10-12-19)17(2)29-13-14-32(3)4/h9-12,15,27,29H,2,5-8,13-14,28H2,1,3-4H3/b27-16+
InChIKeyVUKLNZBRYMYQKC-JVWAILMASA-N
MW428.58 g/mol
LogP4.27
Rot. Bonds7

About N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine

N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 170610396) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID170610396
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC NameN-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
SMILES[H]/N=C(\C)c1c(N)cnc2nc(-c3ccc(C(=C)NCCN(C)C)cc3)c3c(c12)CCCC3
InChIInChI=1S/C26H32N6/c1-16(27)23-22(28)15-30-26-24(23)20-7-5-6-8-21(20)25(31-26)19-11-9-18(10-12-19)17(2)29-13-14-32(3)4/h9-12,15,27,29H,2,5-8,13-14,28H2,1,3-4H3/b27-16+
InChIKeyVUKLNZBRYMYQKC-JVWAILMASA-N
XLogP4.27
TPSA90.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

2-amino-6-[6-[1-[2-(dimethylamino)ethylamino]ethenyl]-3-pyridinyl]-1-ethanimidoyl-4-(trifluoromethyl)-7,8,9,10-tetrahydrophenanthridin-8-ol;N-methylethanamine
CID 170610565
4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrophenanthridin-6-yl)-2-fluorophenol
CID 170221387
[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium
CID 170610538
N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
CID 177299839
N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
CID 177299967
N-ethyl-N'-methyl-2-[1-[4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenyl]ethenylamino]ethanimidamide
CID 170610446
N-[2-(dimethylamino)ethyl]-4-[1-(2-pyridin-4-ylethynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]benzamide
CID 177299904
N-[2-(dimethylamino)ethyl]-4-[17-(2-pyridin-4-ylethynyl)-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14,17-hexaen-9-yl]benzamide
CID 177299982
N',N'-dimethyl-N-[1-[5-[5-oxo-11-(trifluoromethyl)-5λ4-thia-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl]-2-pyridinyl]ethenyl]ethane-1,2-diamine
CID 170610488
4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
CID 155151706
N-[2-(dimethylamino)ethyl]-6-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
CID 177299934
N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
CID 143144030

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine (CID 170610396) is N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine is [H]/N=C(\C)c1c(N)cnc2nc(-c3ccc(C(=C)NCCN(C)C)cc3)c3c(c12)CCCC3.
What is the InChIKey of N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is VUKLNZBRYMYQKC-JVWAILMASA-N. The full InChI is InChI=1S/C26H32N6/c1-16(27)23-22(28)15-30-26-24(23)20-7-5-6-8-21(20)25(31-26)19-11-9-18(10-12-19)17(2)29-13-14-32(3)4/h9-12,15,27,29H,2,5-8,13-14,28H2,1,3-4H3/b27-16+.
What are the key properties of N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 428.58 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-amino-1-ethanimidoyl-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-yl)phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170610396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).