(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

C19H22FN3O — CID 95119707

IUPAC(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1cnc2c(c1)CCC2)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O/c1-23(2)18(15-6-3-7-16(20)10-15)19(24)22-12-13-9-14-5-4-8-17(14)21-11-13/h3,6-7,9-11,18H,4-5,8,12H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyQGODBAJGBNTGNG-GOSISDBHSA-N
MW327.40 g/mol
LogP2.63
Rot. Bonds5

About (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide (PubChem CID 95119707) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
PubChem CID95119707
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1cnc2c(c1)CCC2)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O/c1-23(2)18(15-6-3-7-16(20)10-15)19(24)22-12-13-9-14-5-4-8-17(14)21-11-13/h3,6-7,9-11,18H,4-5,8,12H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyQGODBAJGBNTGNG-GOSISDBHSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72870160
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 118793968
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 72875005

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The IUPAC name of (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide (CID 95119707) is (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide is CN(C)[C@@H](C(=O)NCc1cnc2c(c1)CCC2)c1cccc(F)c1.
What is the InChIKey of (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The InChIKey is QGODBAJGBNTGNG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-23(2)18(15-6-3-7-16(20)10-15)19(24)22-12-13-9-14-5-4-8-17(14)21-11-13/h3,6-7,9-11,18H,4-5,8,12H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 95119707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).