N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H22N2O — CID 107126398

IUPACN-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN(C(=O)C1CCc2ccccc2C1)C1CCNC1
InChIInChI=1S/C16H22N2O/c1-18(15-8-9-17-11-15)16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14-15,17H,6-11H2,1H3
InChIKeyWSYWYEFMJLVJLG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.61
Rot. Bonds2

About N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126398) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126398
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN(C(=O)C1CCc2ccccc2C1)C1CCNC1
InChIInChI=1S/C16H22N2O/c1-18(15-8-9-17-11-15)16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14-15,17H,6-11H2,1H3
InChIKeyWSYWYEFMJLVJLG-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119746215
N-methyl-N-pyrrolidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119553467
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366
N-piperidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126396
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 127321753
(2S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 120625197
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126391
N-methyl-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119553909

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126398) is N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CN(C(=O)C1CCc2ccccc2C1)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WSYWYEFMJLVJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(15-8-9-17-11-15)16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14-15,17H,6-11H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).