2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide

C25H29N5O3 — CID 95813471

IUPAC2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
SMILESCOc1cc(CN2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)ccc1OCC(N)=O
InChIInChI=1S/C25H29N5O3/c1-17-5-3-11-27-25(17)29-19-8-9-20(28-14-19)21-6-4-12-30(21)15-18-7-10-22(23(13-18)32-2)33-16-24(26)31/h3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H2,26,31)(H,27,29)/t21-/m1/s1
InChIKeyBMYAMSNZYFJUQY-OAQYLSRUSA-N
MW447.54 g/mol
LogP3.74
Rot. Bonds9

About 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide

2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 95813471) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
PubChem CID95813471
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
SMILESCOc1cc(CN2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)ccc1OCC(N)=O
InChIInChI=1S/C25H29N5O3/c1-17-5-3-11-27-25(17)29-19-8-9-20(28-14-19)21-6-4-12-30(21)15-18-7-10-22(23(13-18)32-2)33-16-24(26)31/h3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H2,26,31)(H,27,29)/t21-/m1/s1
InChIKeyBMYAMSNZYFJUQY-OAQYLSRUSA-N
XLogP3.74
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252151
2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131923008
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 95813457
1-[(2S)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 95813456
2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide
CID 92732400
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 127244806
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95834277
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide (CID 95813471) is 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide is COc1cc(CN2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is BMYAMSNZYFJUQY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-5-3-11-27-25(17)29-19-8-9-20(28-14-19)21-6-4-12-30(21)15-18-7-10-22(23(13-18)32-2)33-16-24(26)31/h3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H2,26,31)(H,27,29)/t21-/m1/s1.
What are the key properties of 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?
2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 95813471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).