1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol

C23H24N4O — CID 59555722

IUPAC1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
SMILESCC(O)c1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C23H24N4O/c1-16(28)23-14-20(11-13-25-23)27-19-8-6-18(7-9-19)24-12-10-17-15-26-22-5-3-2-4-21(17)22/h2-9,11,13-16,24,26,28H,10,12H2,1H3,(H,25,27)
InChIKeyWZNVHXQTFHGECE-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.01
Rot. Bonds7

About 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol

1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol (PubChem CID 59555722) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
PubChem CID59555722
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
SMILESCC(O)c1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C23H24N4O/c1-16(28)23-14-20(11-13-25-23)27-19-8-6-18(7-9-19)24-12-10-17-15-26-22-5-3-2-4-21(17)22/h2-9,11,13-16,24,26,28H,10,12H2,1H3,(H,25,27)
InChIKeyWZNVHXQTFHGECE-UHFFFAOYSA-N
XLogP5.01
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

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
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215333
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
CID 58170627
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]-phenylmethanol
CID 59555714
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
N-(3,5-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215354
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204779
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 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol?
The IUPAC name of 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol (CID 59555722) is 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol is CC(O)c1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1.
What is the InChIKey of 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol?
The InChIKey is WZNVHXQTFHGECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16(28)23-14-20(11-13-25-23)27-19-8-6-18(7-9-19)24-12-10-17-15-26-22-5-3-2-4-21(17)22/h2-9,11,13-16,24,26,28H,10,12H2,1H3,(H,25,27).
What are the key properties of 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol?
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol has a molecular weight of 372.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol is sourced from PubChem (CID 59555722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).