N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide

C14H19N3O — CID 115271613

IUPACN-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
SMILESCC(CN)CNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(7-15)8-16-14(18)12-9-17(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyKSGNYKNEACFODT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide

N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide (PubChem CID 115271613) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
PubChem CID115271613
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
SMILESCC(CN)CNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(7-15)8-16-14(18)12-9-17(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyKSGNYKNEACFODT-UHFFFAOYSA-N
XLogP1.50
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
CID 118928461
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115156223
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide (CID 115271613) is N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide is CC(CN)CNC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide?
The InChIKey is KSGNYKNEACFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(7-15)8-16-14(18)12-9-17(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide?
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 115271613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).