N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide

C15H21N3O — CID 79741197

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NC2CCc3cc(N)ccc32)C1
InChIInChI=1S/C15H21N3O/c1-18-7-6-11(9-18)15(19)17-14-5-2-10-8-12(16)3-4-13(10)14/h3-4,8,11,14H,2,5-7,9,16H2,1H3,(H,17,19)
InChIKeyUKPLFIUNTBQZCK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.32
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 79741197) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
PubChem CID79741197
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NC2CCc3cc(N)ccc32)C1
InChIInChI=1S/C15H21N3O/c1-18-7-6-11(9-18)15(19)17-14-5-2-10-8-12(16)3-4-13(10)14/h3-4,8,11,14H,2,5-7,9,16H2,1H3,(H,17,19)
InChIKeyUKPLFIUNTBQZCK-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
(3R)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 99970575
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 79741368
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
1-[4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]piperidin-1-yl]ethanone
CID 79730766
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide (CID 79741197) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)NC2CCc3cc(N)ccc32)C1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is UKPLFIUNTBQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-7-6-11(9-18)15(19)17-14-5-2-10-8-12(16)3-4-13(10)14/h3-4,8,11,14H,2,5-7,9,16H2,1H3,(H,17,19).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).