(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

C17H20N2O — CID 128982987

IUPAC(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2cccc3ccccc23)C[C@H]1C(N)=O
InChIInChI=1S/C17H20N2O/c1-12-9-19(11-16(12)17(18)20)10-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,16H,9-11H2,1H3,(H2,18,20)/t12-,16-/m1/s1
InChIKeyXVBTUXNMRSIPGZ-MLGOLLRUSA-N
MW268.36 g/mol
LogP2.39
Rot. Bonds3

About (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 128982987) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID128982987
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2cccc3ccccc23)C[C@H]1C(N)=O
InChIInChI=1S/C17H20N2O/c1-12-9-19(11-16(12)17(18)20)10-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,16H,9-11H2,1H3,(H2,18,20)/t12-,16-/m1/s1
InChIKeyXVBTUXNMRSIPGZ-MLGOLLRUSA-N
XLogP2.39
TPSA46.33 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
(3S,4S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 128983034
(3S,4S)-1-[(3-bromo-2-methylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120695
N,3-dimethyl-1-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 62369775
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
(3S,4S)-4-methyl-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 128987164
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
methyl 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyrrolidine-3-carboxylate
CID 107113533
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
(3S,4S)-4-methyl-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122120797
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (CID 128982987) is (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is C[C@@H]1CN(Cc2cccc3ccccc23)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XVBTUXNMRSIPGZ-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-19(11-16(12)17(18)20)10-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,16H,9-11H2,1H3,(H2,18,20)/t12-,16-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 128982987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).