[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol

C22H24N4O — CID 143202751

IUPAC[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol
SMILESOCC1CC(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)=CC=N1
InChIInChI=1S/C22H24N4O/c27-15-20-13-19(10-12-24-20)26-18-7-5-17(6-8-18)23-11-9-16-14-25-22-4-2-1-3-21(16)22/h1-8,10,12,14,20,23,25-27H,9,11,13,15H2
InChIKeyITZFIPOTYAZAOR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.95
Rot. Bonds7

About [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol

[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol (PubChem CID 143202751) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol
PubChem CID143202751
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol
SMILESOCC1CC(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)=CC=N1
InChIInChI=1S/C22H24N4O/c27-15-20-13-19(10-12-24-20)26-18-7-5-17(6-8-18)23-11-9-16-14-25-22-4-2-1-3-21(16)22/h1-8,10,12,14,20,23,25-27H,9,11,13,15H2
InChIKeyITZFIPOTYAZAOR-UHFFFAOYSA-N
XLogP3.95
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59555711
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol
CID 59555727
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]-phenylmethanol
CID 59555714
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6-(1-methoxyethenyl)pyridine-2-carboxylate
CID 143202815

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol?
The IUPAC name of [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol (CID 143202751) is [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol.
What is the SMILES notation for [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol?
The canonical SMILES for [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol is OCC1CC(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)=CC=N1.
What is the InChIKey of [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol?
The InChIKey is ITZFIPOTYAZAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-15-20-13-19(10-12-24-20)26-18-7-5-17(6-8-18)23-11-9-16-14-25-22-4-2-1-3-21(16)22/h1-8,10,12,14,20,23,25-27H,9,11,13,15H2.
What are the key properties of [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol?
[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol has a molecular weight of 360.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 143202751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).