3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide

C17H20N4O — CID 177167804

IUPAC3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide
SMILESCn1cccc1CNC(Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C17H20N4O/c1-21-8-4-5-13(21)11-20-16(17(18)22)9-12-10-19-15-7-3-2-6-14(12)15/h2-8,10,16,19-20H,9,11H2,1H3,(H2,18,22)
InChIKeyZCFUQUCUOCDZJD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.69
Rot. Bonds6

About 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide

3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide (PubChem CID 177167804) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide
PubChem CID177167804
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide
SMILESCn1cccc1CNC(Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C17H20N4O/c1-21-8-4-5-13(21)11-20-16(17(18)22)9-12-10-19-15-7-3-2-6-14(12)15/h2-8,10,16,19-20H,9,11H2,1H3,(H2,18,22)
InChIKeyZCFUQUCUOCDZJD-UHFFFAOYSA-N
XLogP1.69
TPSA75.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide
CID 175938556
(2S)-3-(1H-indol-3-yl)-2-[(1-methylindol-3-yl)methylamino]propanoic acid
CID 124815638
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 129132728
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
(2S)-2-(ethylamino)-3-(1H-indol-3-yl)propanethioic S-acid
CID 175924820
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
(2S)-2-(hydroxyamino)-3-(1H-indol-3-yl)propanoate
CID 45266744
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide (CID 177167804) is 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide is Cn1cccc1CNC(Cc1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide?
The InChIKey is ZCFUQUCUOCDZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21-8-4-5-13(21)11-20-16(17(18)22)9-12-10-19-15-7-3-2-6-14(12)15/h2-8,10,16,19-20H,9,11H2,1H3,(H2,18,22).
What are the key properties of 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide?
3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide is sourced from PubChem (CID 177167804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).