N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide

C19H23N3O — CID 164638014

IUPACN-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(Cc2cccnc2)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H23N3O/c1-14-5-7-17(8-6-14)18-12-22(13-19(18)21-15(2)23)11-16-4-3-9-20-10-16/h3-10,18-19H,11-13H2,1-2H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyNLWVGAGUGNAUBD-MOPGFXCFSA-N
MW309.41 g/mol
LogP2.49
Rot. Bonds4

About N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide

N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 164638014) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID164638014
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(Cc2cccnc2)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H23N3O/c1-14-5-7-17(8-6-14)18-12-22(13-19(18)21-15(2)23)11-16-4-3-9-20-10-16/h3-10,18-19H,11-13H2,1-2H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyNLWVGAGUGNAUBD-MOPGFXCFSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 133128197
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 100745479
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]acetamide
CID 72894365
N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42864220
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
N-[(3S,4R)-1-[(4-acetamidophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70735692
N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42864225
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
N-[(3S,4R)-1-[(2-amino-3-pyridinyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70735174
N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
CID 42863609
2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide (CID 164638014) is N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN(Cc2cccnc2)C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is NLWVGAGUGNAUBD-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-5-7-17(8-6-14)18-12-22(13-19(18)21-15(2)23)11-16-4-3-9-20-10-16/h3-10,18-19H,11-13H2,1-2H3,(H,21,23)/t18-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164638014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).