2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide

C21H27FN4O2 — CID 67337694

IUPAC2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCC(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C21H27FN4O2/c1-14-7-18(26-20(23)8-14)10-16-11-24-12-19(16)28-13-21(27)25-6-5-15-3-2-4-17(22)9-15/h2-4,7-9,16,19,24H,5-6,10-13H2,1H3,(H2,23,26)(H,25,27)/t16-,19+/m1/s1
InChIKeyPZTBTGQUGHVYDA-APWZRJJASA-N
MW386.47 g/mol
LogP1.62
Rot. Bonds8

About 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide

2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 67337694) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide
PubChem CID67337694
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCC(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C21H27FN4O2/c1-14-7-18(26-20(23)8-14)10-16-11-24-12-19(16)28-13-21(27)25-6-5-15-3-2-4-17(22)9-15/h2-4,7-9,16,19,24H,5-6,10-13H2,1H3,(H2,23,26)(H,25,27)/t16-,19+/m1/s1
InChIKeyPZTBTGQUGHVYDA-APWZRJJASA-N
XLogP1.62
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-fluorophenyl)ethyl]-4-methylpyridin-2-amine;methane
CID 145078015
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-benzyl-N'-methylethane-1,2-diamine
CID 59721721
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
tert-butyl 3-[[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-2-pyridinyl]methyl]-4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]pyrrolidine-1-carboxylate
CID 67337425
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 67337694) is 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide is Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCC(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is PZTBTGQUGHVYDA-APWZRJJASA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14-7-18(26-20(23)8-14)10-16-11-24-12-19(16)28-13-21(27)25-6-5-15-3-2-4-17(22)9-15/h2-4,7-9,16,19,24H,5-6,10-13H2,1H3,(H2,23,26)(H,25,27)/t16-,19+/m1/s1.
What are the key properties of 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide?
2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 67337694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).