N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

C17H20N2O — CID 115159561

IUPACN-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)C1CCNC1
InChIInChI=1S/C17H20N2O/c1-19(17(20)14-9-10-18-11-14)12-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14,18H,9-12H2,1H3
InChIKeyGDGMFICLUDAULQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.41
Rot. Bonds3

About N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 115159561) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID115159561
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)C1CCNC1
InChIInChI=1S/C17H20N2O/c1-19(17(20)14-9-10-18-11-14)12-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14,18H,9-12H2,1H3
InChIKeyGDGMFICLUDAULQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685812
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723179
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (CID 115159561) is N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1cccc2ccccc12)C(=O)C1CCNC1.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is GDGMFICLUDAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(17(20)14-9-10-18-11-14)12-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14,18H,9-12H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).