N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

C16H23N3O — CID 80565293

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-2-19-8-7-12(11-19)9-18-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-6,12,14,17H,2,7-11H2,1H3,(H,18,20)
InChIKeySSPFVYQPGOQMNM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.65
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565293) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565293
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-2-19-8-7-12(11-19)9-18-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-6,12,14,17H,2,7-11H2,1H3,(H,18,20)
InChIKeySSPFVYQPGOQMNM-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106135230
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983705
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80565293) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is CCN1CCC(CNC(=O)C2CNc3ccccc32)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is SSPFVYQPGOQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-19-8-7-12(11-19)9-18-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-6,12,14,17H,2,7-11H2,1H3,(H,18,20).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).