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

C14H15N5O — CID 76999319

IUPAC2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C14H15N5O/c15-11(13(20)19-14-16-5-6-17-14)7-9-8-18-12-4-2-1-3-10(9)12/h1-6,8,11,18H,7,15H2,(H2,16,17,19,20)
InChIKeyZRQWROILSORLJY-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.40
Rot. Bonds4

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

2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 76999319) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID76999319
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C14H15N5O/c15-11(13(20)19-14-16-5-6-17-14)7-9-8-18-12-4-2-1-3-10(9)12/h1-6,8,11,18H,7,15H2,(H2,16,17,19,20)
InChIKeyZRQWROILSORLJY-UHFFFAOYSA-N
XLogP1.40
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 77043322
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
CID 104919505
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
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2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
CID 114350844
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
CID 110837878
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
CID 22691575
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 22691563
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide (CID 76999319) is 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide is NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is ZRQWROILSORLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-11(13(20)19-14-16-5-6-17-14)7-9-8-18-12-4-2-1-3-10(9)12/h1-6,8,11,18H,7,15H2,(H2,16,17,19,20).
What are the key properties of 2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 269.31 g/mol, XLogP of 1.40, 4 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-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 76999319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).