2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

C15H17N5O — CID 77043322

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C15H17N5O/c16-12(15(21)20-9-14-17-5-6-18-14)7-10-8-19-13-4-2-1-3-11(10)13/h1-6,8,12,19H,7,9,16H2,(H,17,18)(H,20,21)
InChIKeyKRNFTHSYORDKFC-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 77043322) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID77043322
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C15H17N5O/c16-12(15(21)20-9-14-17-5-6-18-14)7-10-8-19-13-4-2-1-3-11(10)13/h1-6,8,12,19H,7,9,16H2,(H,17,18)(H,20,21)
InChIKeyKRNFTHSYORDKFC-UHFFFAOYSA-N
XLogP1.08
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)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

2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 104910842
(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-[(4-methylphenyl)methyl]propanamide
CID 57128204
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 19944990
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methylsulfonylethyl)propanamide
CID 61178850
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119958028
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (CID 77043322) is 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is KRNFTHSYORDKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-12(15(21)20-9-14-17-5-6-18-14)7-10-8-19-13-4-2-1-3-11(10)13/h1-6,8,12,19H,7,9,16H2,(H,17,18)(H,20,21).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 77043322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).