(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide

C20H19N3O2 — CID 129354694

IUPAC(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C20H19N3O2/c1-15(25-18-5-3-2-4-6-18)20(24)23-14-16-7-12-22-19(13-16)17-8-10-21-11-9-17/h2-13,15H,14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyIQZDTXUYAXGCFY-HNNXBMFYSA-N
MW333.39 g/mol
LogP3.23
Rot. Bonds6

About (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide

(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide (PubChem CID 129354694) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
PubChem CID129354694
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C20H19N3O2/c1-15(25-18-5-3-2-4-6-18)20(24)23-14-16-7-12-22-19(13-16)17-8-10-21-11-9-17/h2-13,15H,14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyIQZDTXUYAXGCFY-HNNXBMFYSA-N
XLogP3.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 100744368
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide (CID 129354694) is (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide is C[C@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2ccncc2)c1.
What is the InChIKey of (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is IQZDTXUYAXGCFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(25-18-5-3-2-4-6-18)20(24)23-14-16-7-12-22-19(13-16)17-8-10-21-11-9-17/h2-13,15H,14H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide?
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 333.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 129354694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).