N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide

C13H17N3O2 — CID 110833519

IUPACN-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCCCN)cc2cc(O)ccc21
InChIInChI=1S/C13H17N3O2/c1-16-11-4-3-10(17)7-9(11)8-12(16)13(18)15-6-2-5-14/h3-4,7-8,17H,2,5-6,14H2,1H3,(H,15,18)
InChIKeyCTUTYJOLTHMPJV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.96
Rot. Bonds4

About N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide

N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide (PubChem CID 110833519) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
PubChem CID110833519
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCCCN)cc2cc(O)ccc21
InChIInChI=1S/C13H17N3O2/c1-16-11-4-3-10(17)7-9(11)8-12(16)13(18)15-6-2-5-14/h3-4,7-8,17H,2,5-6,14H2,1H3,(H,15,18)
InChIKeyCTUTYJOLTHMPJV-UHFFFAOYSA-N
XLogP0.96
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
4-[[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]amino]butanoic acid
CID 119171048
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
CID 15290313
N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide
CID 110024013
3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide
CID 96562519
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
methyl 2-[[(5-chloro-1-methylindole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoate
CID 166342088

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide (CID 110833519) is N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide is Cn1c(C(=O)NCCCN)cc2cc(O)ccc21.
What is the InChIKey of N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide?
The InChIKey is CTUTYJOLTHMPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-11-4-3-10(17)7-9(11)8-12(16)13(18)15-6-2-5-14/h3-4,7-8,17H,2,5-6,14H2,1H3,(H,15,18).
What are the key properties of N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide?
N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 110833519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).