2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C20H25N3O — CID 95626006

IUPAC2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C20H25N3O/c1-16-7-9-17(10-8-16)13-19-6-4-12-23(19)15-20(24)22-14-18-5-2-3-11-21-18/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyWXNGZFWINDAXHT-IBGZPJMESA-N
MW323.44 g/mol
LogP2.71
Rot. Bonds6

About 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95626006) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95626006
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C20H25N3O/c1-16-7-9-17(10-8-16)13-19-6-4-12-23(19)15-20(24)22-14-18-5-2-3-11-21-18/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyWXNGZFWINDAXHT-IBGZPJMESA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626153
2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 56883612
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 95626006) is 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WXNGZFWINDAXHT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-7-9-17(10-8-16)13-19-6-4-12-23(19)15-20(24)22-14-18-5-2-3-11-21-18/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95626006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).