N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H23N3O — CID 113267465

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCCC1CNC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H23N3O/c1-16-6-2-3-10(16)8-14-13(17)11-7-9-4-5-12(11)15-9/h9-12,15H,2-8H2,1H3,(H,14,17)
InChIKeyJQRQRYOVMCXTEM-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.34
Rot. Bonds3

About N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113267465) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113267465
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCCC1CNC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H23N3O/c1-16-6-2-3-10(16)8-14-13(17)11-7-9-4-5-12(11)15-9/h9-12,15H,2-8H2,1H3,(H,14,17)
InChIKeyJQRQRYOVMCXTEM-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106135216
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 114138626
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026312
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 113267465) is N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is CN1CCCC1CNC(=O)C1CC2CCC1N2.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JQRQRYOVMCXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-6-2-3-10(16)8-14-13(17)11-7-9-4-5-12(11)15-9/h9-12,15H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113267465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).