1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine

C28H35N7 — CID 145392535

IUPAC1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
SMILESC=Cc1ccnc(N2CCC(N(C)C)CC2)c1.CNc1cc2cc(-c3cncn3C)ccc2cn1
InChIInChI=1S/C14H14N4.C14H21N3/c1-15-14-6-12-5-10(3-4-11(12)7-17-14)13-8-16-9-18(13)2;1-4-12-5-8-15-14(11-12)17-9-6-13(7-10-17)16(2)3/h3-9H,1-2H3,(H,15,17);4-5,8,11,13H,1,6-7,9-10H2,2-3H3
InChIKeyYRCJEWPOFRTKPF-UHFFFAOYSA-N
MW469.64 g/mol
LogP4.93
Rot. Bonds5

About 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine

1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine (PubChem CID 145392535) has the molecular formula C28H35N7 and a molecular weight of 469.64 g/mol. Its IUPAC name is 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
PubChem CID145392535
Molecular FormulaC28H35N7
Molecular Weight469.64 g/mol
Exact Mass469.30
IUPAC Name1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
SMILESC=Cc1ccnc(N2CCC(N(C)C)CC2)c1.CNc1cc2cc(-c3cncn3C)ccc2cn1
InChIInChI=1S/C14H14N4.C14H21N3/c1-15-14-6-12-5-10(3-4-11(12)7-17-14)13-8-16-9-18(13)2;1-4-12-5-8-15-14(11-12)17-9-6-13(7-10-17)16(2)3/h3-9H,1-2H3,(H,15,17);4-5,8,11,13H,1,6-7,9-10H2,2-3H3
InChIKeyYRCJEWPOFRTKPF-UHFFFAOYSA-N
XLogP4.93
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 137701509
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
2,4-Disubstituted Pyrimidine 5d
CID 5329439
N,12-dimethyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9813880

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
The IUPAC name of 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine (CID 145392535) is 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine is C=Cc1ccnc(N2CCC(N(C)C)CC2)c1.CNc1cc2cc(-c3cncn3C)ccc2cn1.
What is the InChIKey of 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
The InChIKey is YRCJEWPOFRTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4.C14H21N3/c1-15-14-6-12-5-10(3-4-11(12)7-17-14)13-8-16-9-18(13)2;1-4-12-5-8-15-14(11-12)17-9-6-13(7-10-17)16(2)3/h3-9H,1-2H3,(H,15,17);4-5,8,11,13H,1,6-7,9-10H2,2-3H3.
What are the key properties of 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine has a molecular weight of 469.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 145392535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).