(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide

C17H19FN2O2 — CID 99929265

IUPAC(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)[C@H](O)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H19FN2O2/c1-3-12-4-9-15(19-10-12)11-20(2)17(22)16(21)13-5-7-14(18)8-6-13/h4-10,16,21H,3,11H2,1-2H3/t16-/m1/s1
InChIKeyZDZFZYDUJLNIEV-MRXNPFEDSA-N
MW302.35 g/mol
LogP2.48
Rot. Bonds5

About (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide

(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide (PubChem CID 99929265) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
PubChem CID99929265
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)[C@H](O)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H19FN2O2/c1-3-12-4-9-15(19-10-12)11-20(2)17(22)16(21)13-5-7-14(18)8-6-13/h4-10,16,21H,3,11H2,1-2H3/t16-/m1/s1
InChIKeyZDZFZYDUJLNIEV-MRXNPFEDSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 91766152
5-cyclohexyl-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 70760963
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77081692
N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide?
The IUPAC name of (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide (CID 99929265) is (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide.
What is the SMILES notation for (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide?
The canonical SMILES for (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide is CCc1ccc(CN(C)C(=O)[C@H](O)c2ccc(F)cc2)nc1.
What is the InChIKey of (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide?
The InChIKey is ZDZFZYDUJLNIEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-12-4-9-15(19-10-12)11-20(2)17(22)16(21)13-5-7-14(18)8-6-13/h4-10,16,21H,3,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide?
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide has a molecular weight of 302.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 99929265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).