2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine

C26H30N4 — CID 58170692

IUPAC2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
SMILESCCNC(C)c1cc(Nc2ccc(CCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C26H30N4/c1-3-27-19(2)26-17-23(15-16-28-26)30-22-13-11-20(12-14-22)7-6-8-21-18-29-25-10-5-4-9-24(21)25/h4-5,9-19,27,29H,3,6-8H2,1-2H3,(H,28,30)
InChIKeyYOTMOBJHLQAHDP-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.15
Rot. Bonds9

About 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine

2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine (PubChem CID 58170692) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
PubChem CID58170692
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC Name2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
SMILESCCNC(C)c1cc(Nc2ccc(CCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C26H30N4/c1-3-27-19(2)26-17-23(15-16-28-26)30-22-13-11-20(12-14-22)7-6-8-21-18-29-25-10-5-4-9-24(21)25/h4-5,9-19,27,29H,3,6-8H2,1-2H3,(H,28,30)
InChIKeyYOTMOBJHLQAHDP-UHFFFAOYSA-N
XLogP6.15
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
CID 58170627
2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol
CID 59555727
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine
CID 58170679
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
CID 58170630
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-(2-methoxyethoxymethyl)pyridin-4-amine
CID 58170578
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine
CID 58170555
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
CID 58170747
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570
[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol
CID 58170729
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine?
The IUPAC name of 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine (CID 58170692) is 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine is CCNC(C)c1cc(Nc2ccc(CCCc3c[nH]c4ccccc34)cc2)ccn1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine?
The InChIKey is YOTMOBJHLQAHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4/c1-3-27-19(2)26-17-23(15-16-28-26)30-22-13-11-20(12-14-22)7-6-8-21-18-29-25-10-5-4-9-24(21)25/h4-5,9-19,27,29H,3,6-8H2,1-2H3,(H,28,30).
What are the key properties of 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine?
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine has a molecular weight of 398.55 g/mol, XLogP of 6.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine is sourced from PubChem (CID 58170692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).