N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide

C13H17N3O2 — CID 110833539

IUPACN-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)CN)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-8(7-14)15-13(17)12-5-9-3-4-10(18-2)6-11(9)16-12/h3-6,8,16H,7,14H2,1-2H3,(H,15,17)
InChIKeyKFKBJWLNBJSYKO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds4

About N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide

N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 110833539) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID110833539
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)CN)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-8(7-14)15-13(17)12-5-9-3-4-10(18-2)6-11(9)16-12/h3-6,8,16H,7,14H2,1-2H3,(H,15,17)
InChIKeyKFKBJWLNBJSYKO-UHFFFAOYSA-N
XLogP1.25
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 39984116
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 39984120
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 60515636
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide (CID 110833539) is N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NC(C)CN)[nH]c2c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is KFKBJWLNBJSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(7-14)15-13(17)12-5-9-3-4-10(18-2)6-11(9)16-12/h3-6,8,16H,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide?
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 110833539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).