3-(2-amino-6-methyl-1H-indol-3-yl)propanamide

C12H15N3O — CID 168834316

IUPAC3-(2-amino-6-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2c(CCC(N)=O)c(N)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-7-2-3-8-9(4-5-11(13)16)12(14)15-10(8)6-7/h2-3,6,15H,4-5,14H2,1H3,(H2,13,16)
InChIKeyQGOMFSIHJYGDBW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds3

About 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide

3-(2-amino-6-methyl-1H-indol-3-yl)propanamide (PubChem CID 168834316) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-6-methyl-1H-indol-3-yl)propanamide
PubChem CID168834316
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(2-amino-6-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2c(CCC(N)=O)c(N)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-7-2-3-8-9(4-5-11(13)16)12(14)15-10(8)6-7/h2-3,6,15H,4-5,14H2,1H3,(H2,13,16)
InChIKeyQGOMFSIHJYGDBW-UHFFFAOYSA-N
XLogP1.48
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
ethane;3-(4-methylphenyl)propanamide
CID 142510251
3-(chloromethyl)-2,6-dimethyl-1H-indole
CID 130049399
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
CID 173085414
2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
CID 90480442
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide (CID 168834316) is 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide is Cc1ccc2c(CCC(N)=O)c(N)[nH]c2c1.
What is the InChIKey of 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide?
The InChIKey is QGOMFSIHJYGDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-2-3-8-9(4-5-11(13)16)12(14)15-10(8)6-7/h2-3,6,15H,4-5,14H2,1H3,(H2,13,16).
What are the key properties of 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide?
3-(2-amino-6-methyl-1H-indol-3-yl)propanamide has a molecular weight of 217.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 168834316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).