1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide

C16H19N3O3 — CID 175458520

IUPAC1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N3CC(C)CC3C(N)=O)cc12
InChIInChI=1S/C16H19N3O3/c1-9-6-13(15(17)20)19(8-9)16(21)12-7-10-11(18-12)4-3-5-14(10)22-2/h3-5,7,9,13,18H,6,8H2,1-2H3,(H2,17,20)
InChIKeyBKHDQTGGNGQTDV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.51
Rot. Bonds3

About 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide

1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 175458520) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
PubChem CID175458520
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N3CC(C)CC3C(N)=O)cc12
InChIInChI=1S/C16H19N3O3/c1-9-6-13(15(17)20)19(8-9)16(21)12-7-10-11(18-12)4-3-5-14(10)22-2/h3-5,7,9,13,18H,6,8H2,1-2H3,(H2,17,20)
InChIKeyBKHDQTGGNGQTDV-UHFFFAOYSA-N
XLogP1.51
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163810900
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171530353
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 167229521
(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983867
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-fluoro-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 171530313
(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 166749535
N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 175458577
(2S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-cyclohexyl-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166840752
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide (CID 175458520) is 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide is COc1cccc2[nH]c(C(=O)N3CC(C)CC3C(N)=O)cc12.
What is the InChIKey of 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is BKHDQTGGNGQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-6-13(15(17)20)19(8-9)16(21)12-7-10-11(18-12)4-3-5-14(10)22-2/h3-5,7,9,13,18H,6,8H2,1-2H3,(H2,17,20).
What are the key properties of 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide?
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175458520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).