N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide

C17H23N3O2 — CID 97496283

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-20-8-4-5-13(20)11-18-17(21)16-10-12-9-14(22-2)6-7-15(12)19-16/h6-7,9-10,13,19H,3-5,8,11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyGGPSSMWSGKAUSC-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 97496283) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID97496283
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-20-8-4-5-13(20)11-18-17(21)16-10-12-9-14(22-2)6-7-15(12)19-16/h6-7,9-10,13,19H,3-5,8,11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyGGPSSMWSGKAUSC-CYBMUJFWSA-N
XLogP2.39
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 125402338
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
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(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
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5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
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N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451504
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
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CID 92699787
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 99874542
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide (CID 97496283) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is GGPSSMWSGKAUSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-20-8-4-5-13(20)11-18-17(21)16-10-12-9-14(22-2)6-7-15(12)19-16/h6-7,9-10,13,19H,3-5,8,11H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 97496283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).