N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide

C20H21N3O2 — CID 72719161

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C20H21N3O2/c1-25-16-10-11-23(13-16)15-8-6-14(7-9-15)22-20(24)18-12-21-19-5-3-2-4-17(18)19/h2-9,12,16,21H,10-11,13H2,1H3,(H,22,24)
InChIKeyGATNHXZKGAUWLI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide (PubChem CID 72719161) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
PubChem CID72719161
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C20H21N3O2/c1-25-16-10-11-23(13-16)15-8-6-14(7-9-15)22-20(24)18-12-21-19-5-3-2-4-17(18)19/h2-9,12,16,21H,10-11,13H2,1H3,(H,22,24)
InChIKeyGATNHXZKGAUWLI-UHFFFAOYSA-N
XLogP3.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90595310
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide (CID 72719161) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide is COC1CCN(c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is GATNHXZKGAUWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-16-10-11-23(13-16)15-8-6-14(7-9-15)22-20(24)18-12-21-19-5-3-2-4-17(18)19/h2-9,12,16,21H,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 72719161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).