N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide

C13H17N3O2 — CID 110833457

IUPACN-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(C)CN)cc12
InChIInChI=1S/C13H17N3O2/c1-8(7-14)15-13(17)11-6-9-10(16-11)4-3-5-12(9)18-2/h3-6,8,16H,7,14H2,1-2H3,(H,15,17)
InChIKeyMDRAQCBLPGZSBH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide

N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide (PubChem CID 110833457) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
PubChem CID110833457
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(C)CN)cc12
InChIInChI=1S/C13H17N3O2/c1-8(7-14)15-13(17)11-6-9-10(16-11)4-3-5-12(9)18-2/h3-6,8,16H,7,14H2,1-2H3,(H,15,17)
InChIKeyMDRAQCBLPGZSBH-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-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193
N-[(2R,3S)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 172948494
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
N-[(2S)-1-[(2-amino-2-oxo-1-pyridin-3-ylethyl)amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162478789
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate
CID 175458583
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-[1-[[1-chloro-6-(dimethylamino)-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 72989602

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide (CID 110833457) is N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NC(C)CN)cc12.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is MDRAQCBLPGZSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(7-14)15-13(17)11-6-9-10(16-11)4-3-5-12(9)18-2/h3-6,8,16H,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide?
N-(1-aminopropan-2-yl)-4-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)-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 110833457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).