2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile

C20H25N5O — CID 171644385

IUPAC2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile
SMILESC=CN1CCCC(NC(=C)NCc2cc3cc(OC)c(C#N)cc3[nH]2)C1
InChIInChI=1S/C20H25N5O/c1-4-25-7-5-6-17(13-25)23-14(2)22-12-18-8-15-10-20(26-3)16(11-21)9-19(15)24-18/h4,8-10,17,22-24H,1-2,5-7,12-13H2,3H3
InChIKeyYUDCWVCJORWMSK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.81
Rot. Bonds7

About 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile

2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile (PubChem CID 171644385) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile
PubChem CID171644385
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile
SMILESC=CN1CCCC(NC(=C)NCc2cc3cc(OC)c(C#N)cc3[nH]2)C1
InChIInChI=1S/C20H25N5O/c1-4-25-7-5-6-17(13-25)23-14(2)22-12-18-8-15-10-20(26-3)16(11-21)9-19(15)24-18/h4,8-10,17,22-24H,1-2,5-7,12-13H2,3H3
InChIKeyYUDCWVCJORWMSK-UHFFFAOYSA-N
XLogP2.81
TPSA76.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine
CID 171644507
ethane;hexa-1,5-diene;1-N-[(5-methoxy-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171644486
ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643867
ethenylcyclohexane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643967
1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine
CID 171644270
1-N'-(1-but-1-en-2-ylpiperidin-3-yl)-1-N-[(5-chloro-1H-indol-2-yl)methyl]ethene-1,1-diamine
CID 171644323
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;prop-2-enylcyclobutane
CID 171644239
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[1-(cyclobutylamino)ethenyl]piperidin-3-yl]ethene-1,1-diamine
CID 171644016
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidin-3-yl]ethene-1,1-diamine
CID 171644406
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[1-(1H-imidazol-5-yl)ethenyl]piperidin-3-yl]ethene-1,1-diamine
CID 171644184
(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine
CID 171644561
2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 106792751

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile?
The IUPAC name of 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile (CID 171644385) is 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile.
What is the SMILES notation for 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile?
The canonical SMILES for 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile is C=CN1CCCC(NC(=C)NCc2cc3cc(OC)c(C#N)cc3[nH]2)C1.
What is the InChIKey of 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile?
The InChIKey is YUDCWVCJORWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-25-7-5-6-17(13-25)23-14(2)22-12-18-8-15-10-20(26-3)16(11-21)9-19(15)24-18/h4,8-10,17,22-24H,1-2,5-7,12-13H2,3H3.
What are the key properties of 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile?
2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile is sourced from PubChem (CID 171644385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).