N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide

C18H25N3O2 — CID 91836549

IUPACN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H25N3O2/c1-5-23-17-10-21(4)9-16(17)20-18(22)13-6-7-15-14(8-13)11(2)12(3)19-15/h6-8,16-17,19H,5,9-10H2,1-4H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyYRXUJYWRCYWAIB-IRXDYDNUSA-N
MW315.42 g/mol
LogP2.23
Rot. Bonds4

About N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 91836549) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID91836549
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H25N3O2/c1-5-23-17-10-21(4)9-16(17)20-18(22)13-6-7-15-14(8-13)11(2)12(3)19-15/h6-8,16-17,19H,5,9-10H2,1-4H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyYRXUJYWRCYWAIB-IRXDYDNUSA-N
XLogP2.23
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.23
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-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 91836549) is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide is CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is YRXUJYWRCYWAIB-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-23-17-10-21(4)9-16(17)20-18(22)13-6-7-15-14(8-13)11(2)12(3)19-15/h6-8,16-17,19H,5,9-10H2,1-4H3,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 91836549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).