4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine

C25H27N5O — CID 23646992

IUPAC4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1
InChIInChI=1S/C25H27N5O/c1-2-28-25-12-18(9-10-29-25)7-8-19-11-22(16-27-14-19)31-17-21(26)13-20-15-30-24-6-4-3-5-23(20)24/h3-12,14-16,21,30H,2,13,17,26H2,1H3,(H,28,29)/b8-7+/t21-/m0/s1
InChIKeyMINCWMVJSPHHTM-CQQBXOTJSA-N
MW413.53 g/mol
LogP4.51
Rot. Bonds9

About 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine

4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine (PubChem CID 23646992) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine
PubChem CID23646992
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1
InChIInChI=1S/C25H27N5O/c1-2-28-25-12-18(9-10-29-25)7-8-19-11-22(16-27-14-19)31-17-21(26)13-20-15-30-24-6-4-3-5-23(20)24/h3-12,14-16,21,30H,2,13,17,26H2,1H3,(H,28,29)/b8-7+/t21-/m0/s1
InChIKeyMINCWMVJSPHHTM-CQQBXOTJSA-N
XLogP4.51
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine with MolForge

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Related Compounds

Gdc-0425
CID 58266779
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethynylpyridin-3-yl}isoquinoline
CID 23647573
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine (CID 23646992) is 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine is CCNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1.
What is the InChIKey of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine?
The InChIKey is MINCWMVJSPHHTM-CQQBXOTJSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-28-25-12-18(9-10-29-25)7-8-19-11-22(16-27-14-19)31-17-21(26)13-20-15-30-24-6-4-3-5-23(20)24/h3-12,14-16,21,30H,2,13,17,26H2,1H3,(H,28,29)/b8-7+/t21-/m0/s1.
What are the key properties of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine?
4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine has a molecular weight of 413.53 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 23646992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).