N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide

C17H23N3O2 — CID 4974951

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-20-8-4-5-13(20)11-18-17(21)16-9-12-6-7-14(22-2)10-15(12)19-16/h6-7,9-10,13,19H,3-5,8,11H2,1-2H3,(H,18,21)
InChIKeyYBCZCMVOTYJLGN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 4974951) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID4974951
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-20-8-4-5-13(20)11-18-17(21)16-9-12-6-7-14(22-2)10-15(12)19-16/h6-7,9-10,13,19H,3-5,8,11H2,1-2H3,(H,18,21)
InChIKeyYBCZCMVOTYJLGN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide (CID 4974951) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide is CCN1CCCC1CNC(=O)c1cc2ccc(OC)cc2[nH]1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is YBCZCMVOTYJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-20-8-4-5-13(20)11-18-17(21)16-9-12-6-7-14(22-2)10-15(12)19-16/h6-7,9-10,13,19H,3-5,8,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-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-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 4974951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).