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

C16H18N4O — CID 106384838

IUPAC2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C16H18N4O/c17-14(16(21)20-9-11-5-6-18-8-11)7-12-10-19-15-4-2-1-3-13(12)15/h1-6,8,10,14,18-19H,7,9,17H2,(H,20,21)
InChIKeyGVYYEHKXVWEDIM-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.68
Rot. Bonds5

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

2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106384838) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106384838
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C16H18N4O/c17-14(16(21)20-9-11-5-6-18-8-11)7-12-10-19-15-4-2-1-3-13(12)15/h1-6,8,10,14,18-19H,7,9,17H2,(H,20,21)
InChIKeyGVYYEHKXVWEDIM-UHFFFAOYSA-N
XLogP1.68
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
(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-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 77043322
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 104910842
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide
CID 104911059
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106384838) is 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide is NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is GVYYEHKXVWEDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-14(16(21)20-9-11-5-6-18-8-11)7-12-10-19-15-4-2-1-3-13(12)15/h1-6,8,10,14,18-19H,7,9,17H2,(H,20,21).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 282.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106384838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).