(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide

C23H21N5O — CID 10172738

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C23H21N5O/c24-21(12-18-14-27-22-4-2-1-3-20(18)22)23(29)28-19-11-17(13-26-15-19)6-5-16-7-9-25-10-8-16/h1-11,13-15,21,27H,12,24H2,(H,28,29)/b6-5+/t21-/m0/s1
InChIKeyRFVBRKXQYUDGIO-LYSGITKLSA-N
MW383.46 g/mol
LogP3.64
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide (PubChem CID 10172738) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
PubChem CID10172738
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C23H21N5O/c24-21(12-18-14-27-22-4-2-1-3-20(18)22)23(29)28-19-11-17(13-26-15-19)6-5-16-7-9-25-10-8-16/h1-11,13-15,21,27H,12,24H2,(H,28,29)/b6-5+/t21-/m0/s1
InChIKeyRFVBRKXQYUDGIO-LYSGITKLSA-N
XLogP3.64
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indoramin
CID 33625
Beta-Carboline
CID 64961
Enzastaurin
CID 176167
Apicidin
CID 6918328
Ilomastat
CID 132519
Harman
CID 5281404
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Macimorelin
CID 9804938
LY-517717
CID 9939865
Indole-3-acetamide
CID 397
(3s,6s,9s,12r)-6-[(1-Methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 467801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide (CID 10172738) is (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
The InChIKey is RFVBRKXQYUDGIO-LYSGITKLSA-N. The full InChI is InChI=1S/C23H21N5O/c24-21(12-18-14-27-22-4-2-1-3-20(18)22)23(29)28-19-11-17(13-26-15-19)6-5-16-7-9-25-10-8-16/h1-11,13-15,21,27H,12,24H2,(H,28,29)/b6-5+/t21-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide has a molecular weight of 383.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 10172738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).