6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine

C28H35N5 — CID 166787264

IUPAC6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine
SMILESC=CN(C)/C(=C\C)C1C=c2cc(NC(=C)c3ccnc(N4CCCCC4)c3)ncc2=CC1C
InChIInChI=1S/C28H35N5/c1-6-26(32(5)7-2)25-16-23-17-27(30-19-24(23)15-20(25)3)31-21(4)22-11-12-29-28(18-22)33-13-9-8-10-14-33/h6-7,11-12,15-20,25,31H,2,4,8-10,13-14H2,1,3,5H3/b26-6-
InChIKeyIVZYNQUSEQZTFT-RROVHIOVSA-N
MW441.62 g/mol
LogP4.36
Rot. Bonds7

About 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine

6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine (PubChem CID 166787264) has the molecular formula C28H35N5 and a molecular weight of 441.62 g/mol. Its IUPAC name is 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine.

Molecular Properties

Compound Name6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine
PubChem CID166787264
Molecular FormulaC28H35N5
Molecular Weight441.62 g/mol
Exact Mass441.29
IUPAC Name6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine
SMILESC=CN(C)/C(=C\C)C1C=c2cc(NC(=C)c3ccnc(N4CCCCC4)c3)ncc2=CC1C
InChIInChI=1S/C28H35N5/c1-6-26(32(5)7-2)25-16-23-17-27(30-19-24(23)15-20(25)3)31-21(4)22-11-12-29-28(18-22)33-13-9-8-10-14-33/h6-7,11-12,15-20,25,31H,2,4,8-10,13-14H2,1,3,5H3/b26-6-
InChIKeyIVZYNQUSEQZTFT-RROVHIOVSA-N
XLogP4.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
4-Methyl-6-(2-(5-(1-Methylpiperidin-4-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057274
(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265616
(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265620
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265727
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265828
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine?
The IUPAC name of 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine (CID 166787264) is 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine.
What is the SMILES notation for 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine?
The canonical SMILES for 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine is C=CN(C)/C(=C\C)C1C=c2cc(NC(=C)c3ccnc(N4CCCCC4)c3)ncc2=CC1C.
What is the InChIKey of 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine?
The InChIKey is IVZYNQUSEQZTFT-RROVHIOVSA-N. The full InChI is InChI=1S/C28H35N5/c1-6-26(32(5)7-2)25-16-23-17-27(30-19-24(23)15-20(25)3)31-21(4)22-11-12-29-28(18-22)33-13-9-8-10-14-33/h6-7,11-12,15-20,25,31H,2,4,8-10,13-14H2,1,3,5H3/b26-6-.
What are the key properties of 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine?
6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine has a molecular weight of 441.62 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-[ethenyl(methyl)amino]prop-1-enyl]-7-methyl-N-[1-(2-piperidin-1-yl-4-pyridinyl)ethenyl]-6,7-dihydroisoquinolin-3-amine is sourced from PubChem (CID 166787264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).