N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide

C19H27N3O2 — CID 97266069

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc2ccn(CCOC)c2c1
InChIInChI=1S/C19H27N3O2/c1-3-21-9-4-5-17(21)14-20-19(23)16-7-6-15-8-10-22(11-12-24-2)18(15)13-16/h6-8,10,13,17H,3-5,9,11-12,14H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyNQUJLTNBPLRKTJ-KRWDZBQOSA-N
MW329.44 g/mol
LogP2.50
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide (PubChem CID 97266069) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
PubChem CID97266069
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc2ccn(CCOC)c2c1
InChIInChI=1S/C19H27N3O2/c1-3-21-9-4-5-17(21)14-20-19(23)16-7-6-15-8-10-22(11-12-24-2)18(15)13-16/h6-8,10,13,17H,3-5,9,11-12,14H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyNQUJLTNBPLRKTJ-KRWDZBQOSA-N
XLogP2.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266614
2-(6-bromoindol-1-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266615
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
CID 71753850
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide (CID 97266069) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide is CCN1CCC[C@H]1CNC(=O)c1ccc2ccn(CCOC)c2c1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide?
The InChIKey is NQUJLTNBPLRKTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-21-9-4-5-17(21)14-20-19(23)16-7-6-15-8-10-22(11-12-24-2)18(15)13-16/h6-8,10,13,17H,3-5,9,11-12,14H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide is sourced from PubChem (CID 97266069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).