(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide

C20H16N4O2 — CID 95310417

IUPAC(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C20H16N4O2/c1-14(26-18-9-3-15(13-21)4-10-18)20(25)24-17-7-5-16(6-8-17)19-22-11-2-12-23-19/h2-12,14H,1H3,(H,24,25)/t14-/m0/s1
InChIKeyBQUONBRSYGMJLV-AWEZNQCLSA-N
MW344.37 g/mol
LogP3.42
Rot. Bonds5

About (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide

(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide (PubChem CID 95310417) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
PubChem CID95310417
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C20H16N4O2/c1-14(26-18-9-3-15(13-21)4-10-18)20(25)24-17-7-5-16(6-8-17)19-22-11-2-12-23-19/h2-12,14H,1H3,(H,24,25)/t14-/m0/s1
InChIKeyBQUONBRSYGMJLV-AWEZNQCLSA-N
XLogP3.42
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
2-(4-cyanophenoxy)-N-(3-hydroxy-2-pyridinyl)propanamide
CID 51188816
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
2-phenoxy-N-[4-[2-[4-(2-phenoxypropanoylamino)phenyl]pyrimidin-5-yl]phenyl]propanamide
CID 3884095
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide (CID 95310417) is (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncccn2)cc1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide?
The InChIKey is BQUONBRSYGMJLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14(26-18-9-3-15(13-21)4-10-18)20(25)24-17-7-5-16(6-8-17)19-22-11-2-12-23-19/h2-12,14H,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide?
(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide has a molecular weight of 344.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide is sourced from PubChem (CID 95310417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).