6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide

C22H27N3O3 — CID 92625390

IUPAC6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)nc1C
InChIInChI=1S/C22H27N3O3/c1-14-12-16(7-10-20(14)28-4)13-21(26)25-11-5-6-19(25)18-9-8-17(15(2)24-18)22(27)23-3/h7-10,12,19H,5-6,11,13H2,1-4H3,(H,23,27)/t19-/m1/s1
InChIKeyXJMWIDPJYDIZTA-LJQANCHMSA-N
MW381.48 g/mol
LogP2.97
Rot. Bonds5

About 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide

6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 92625390) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID92625390
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)nc1C
InChIInChI=1S/C22H27N3O3/c1-14-12-16(7-10-20(14)28-4)13-21(26)25-11-5-6-19(25)18-9-8-17(15(2)24-18)22(27)23-3/h7-10,12,19H,5-6,11,13H2,1-4H3,(H,23,27)/t19-/m1/s1
InChIKeyXJMWIDPJYDIZTA-LJQANCHMSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
1-[2-[4-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 110236688
2-(4-methoxy-3-methylphenyl)-1-[(2S)-2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 92590544
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 122258032
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 110218163
2-(3,4-dimethoxyphenyl)-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 22586753
N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
CID 110261232
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 18147717
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 94041159
2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92637216

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide (CID 92625390) is 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide is CNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)nc1C.
What is the InChIKey of 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is XJMWIDPJYDIZTA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-12-16(7-10-20(14)28-4)13-21(26)25-11-5-6-19(25)18-9-8-17(15(2)24-18)22(27)23-3/h7-10,12,19H,5-6,11,13H2,1-4H3,(H,23,27)/t19-/m1/s1.
What are the key properties of 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide?
6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92625390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).