(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide

C21H19FN2O2 — CID 174678732

IUPAC(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
SMILESCOc1cc(-c2ccnc(NC(=O)[C@@H](C)c3ccccc3)c2)ccc1F
InChIInChI=1S/C21H19FN2O2/c1-14(15-6-4-3-5-7-15)21(25)24-20-13-17(10-11-23-20)16-8-9-18(22)19(12-16)26-2/h3-14H,1-2H3,(H,23,24,25)/t14-/m0/s1
InChIKeyZBGZHGSKGGYRPT-AWEZNQCLSA-N
MW350.39 g/mol
LogP4.64
Rot. Bonds5

About (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide

(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide (PubChem CID 174678732) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
PubChem CID174678732
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
SMILESCOc1cc(-c2ccnc(NC(=O)[C@@H](C)c3ccccc3)c2)ccc1F
InChIInChI=1S/C21H19FN2O2/c1-14(15-6-4-3-5-7-15)21(25)24-20-13-17(10-11-23-20)16-8-9-18(22)19(12-16)26-2/h3-14H,1-2H3,(H,23,24,25)/t14-/m0/s1
InChIKeyZBGZHGSKGGYRPT-AWEZNQCLSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 174608651
N-[4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-thiophen-2-ylpropanamide
CID 58432610
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 174623305
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
CID 53380063
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
CID 53380065
[[N-[4-(4-fluorophenyl)-2-pyridinyl]-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino] acetate
CID 118971151
3-(4-fluoro-3-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114899105

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide (CID 174678732) is (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide is COc1cc(-c2ccnc(NC(=O)[C@@H](C)c3ccccc3)c2)ccc1F.
What is the InChIKey of (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide?
The InChIKey is ZBGZHGSKGGYRPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14(15-6-4-3-5-7-15)21(25)24-20-13-17(10-11-23-20)16-8-9-18(22)19(12-16)26-2/h3-14H,1-2H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide?
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide has a molecular weight of 350.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide is sourced from PubChem (CID 174678732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).