(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide

C24H25F2N3O — CID 126466713

IUPAC(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1cccc2ccccc12
InChIInChI=1S/C24H25F2N3O/c1-27-24(30)23-12-18(28-13-20-21(25)10-5-11-22(20)26)15-29(23)14-17-8-4-7-16-6-2-3-9-19(16)17/h2-11,18,23,28H,12-15H2,1H3,(H,27,30)/t18-,23+/m1/s1
InChIKeyARGSREXGQOFGJU-JPYJTQIMSA-N
MW409.48 g/mol
LogP3.60
Rot. Bonds6

About (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 126466713) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol. Its IUPAC name is (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID126466713
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC Name(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1cccc2ccccc12
InChIInChI=1S/C24H25F2N3O/c1-27-24(30)23-12-18(28-13-20-21(25)10-5-11-22(20)26)15-29(23)14-17-8-4-7-16-6-2-3-9-19(16)17/h2-11,18,23,28H,12-15H2,1H3,(H,27,30)/t18-,23+/m1/s1
InChIKeyARGSREXGQOFGJU-JPYJTQIMSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(2,5-difluorophenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45244853
(2S,4S)-1-[(4-chlorophenyl)methyl]-4-[(2-methoxynaphthalen-1-yl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45249949
(2S,4R)-N-ethyl-1-(naphthalen-1-ylmethyl)-4-[(4-phenylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45228510
(2S,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45179273
(2S,4R)-N-methyl-1-(naphthalen-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 118755358
(2S,4S)-1-[[4-(diethylamino)phenyl]methyl]-N-(2-methoxyethyl)-4-(naphthalen-1-ylmethylamino)pyrrolidine-2-carboxamide
CID 118755177
(2S,4R)-N-methyl-1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45249945
(2S,4S)-1-benzyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45223733
(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 28822745
(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 28954775
(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 124946093
(2S,4S)-1-[(2-chlorophenyl)methyl]-N-ethyl-4-[(4-methoxynaphthalen-1-yl)methylamino]pyrrolidine-2-carboxamide
CID 118757919

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide (CID 126466713) is (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1cccc2ccccc12.
What is the InChIKey of (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ARGSREXGQOFGJU-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H25F2N3O/c1-27-24(30)23-12-18(28-13-20-21(25)10-5-11-22(20)26)15-29(23)14-17-8-4-7-16-6-2-3-9-19(16)17/h2-11,18,23,28H,12-15H2,1H3,(H,27,30)/t18-,23+/m1/s1.
What are the key properties of (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126466713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).