N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide

C18H25N3O2 — CID 4972560

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C18H25N3O2/c1-4-21-9-5-6-13(21)11-19-18(22)17-12(2)15-10-14(23-3)7-8-16(15)20-17/h7-8,10,13,20H,4-6,9,11H2,1-3H3,(H,19,22)
InChIKeyLZYOCZCKKFPDJP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.70
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 4972560) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID4972560
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C18H25N3O2/c1-4-21-9-5-6-13(21)11-19-18(22)17-12(2)15-10-14(23-3)7-8-16(15)20-17/h7-8,10,13,20H,4-6,9,11H2,1-3H3,(H,19,22)
InChIKeyLZYOCZCKKFPDJP-UHFFFAOYSA-N
XLogP2.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide (CID 4972560) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide is CCN1CCCC1CNC(=O)c1[nH]c2ccc(OC)cc2c1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is LZYOCZCKKFPDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-21-9-5-6-13(21)11-19-18(22)17-12(2)15-10-14(23-3)7-8-16(15)20-17/h7-8,10,13,20H,4-6,9,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.70, 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]-5-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4972560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).