(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide

C18H20N4O — CID 22689997

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cccnc1
InChIInChI=1S/C18H20N4O/c19-16(10-14-12-22-17-6-2-1-5-15(14)17)18(23)21-9-7-13-4-3-8-20-11-13/h1-6,8,11-12,16,22H,7,9-10,19H2,(H,21,23)/t16-/m0/s1
InChIKeyGAYPZHLBTPPBMS-INIZCTEOSA-N
MW308.38 g/mol
LogP1.79
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 22689997) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID22689997
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cccnc1
InChIInChI=1S/C18H20N4O/c19-16(10-14-12-22-17-6-2-1-5-15(14)17)18(23)21-9-7-13-4-3-8-20-11-13/h1-6,8,11-12,16,22H,7,9-10,19H2,(H,21,23)/t16-/m0/s1
InChIKeyGAYPZHLBTPPBMS-INIZCTEOSA-N
XLogP1.79
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 76892447
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide;hydrochloride
CID 119957671
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;pyridine-3-carboxylic acid
CID 18645438
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide (CID 22689997) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cccnc1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is GAYPZHLBTPPBMS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c19-16(10-14-12-22-17-6-2-1-5-15(14)17)18(23)21-9-7-13-4-3-8-20-11-13/h1-6,8,11-12,16,22H,7,9-10,19H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 22689997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).