(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

C22H28FN3O — CID 97201502

IUPAC(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(C)[C@H](C(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O/c1-25(2)21(17-11-13-18(23)14-12-17)22(27)26(20-9-4-3-5-10-20)16-19-8-6-7-15-24-19/h6-8,11-15,20-21H,3-5,9-10,16H2,1-2H3/t21-/m0/s1
InChIKeyCXYMWSAOFSJISS-NRFANRHFSA-N
MW369.48 g/mol
LogP4.18
Rot. Bonds6

About (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 97201502) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID97201502
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(C)[C@H](C(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O/c1-25(2)21(17-11-13-18(23)14-12-17)22(27)26(20-9-4-3-5-10-20)16-19-8-6-7-15-24-19/h6-8,11-15,20-21H,3-5,9-10,16H2,1-2H3/t21-/m0/s1
InChIKeyCXYMWSAOFSJISS-NRFANRHFSA-N
XLogP4.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
CID 97205289
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
N-cyclopentyl-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46970583
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 80543102
(2S)-2-amino-N-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 61165416
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129008069

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 97201502) is (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is CN(C)[C@H](C(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CXYMWSAOFSJISS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25(2)21(17-11-13-18(23)14-12-17)22(27)26(20-9-4-3-5-10-20)16-19-8-6-7-15-24-19/h6-8,11-15,20-21H,3-5,9-10,16H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 369.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 97201502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).