(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide

C28H27N3O3 — CID 15985678

IUPAC(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccccc3)c2)c1=O
InChIInChI=1S/C28H27N3O3/c1-20(29-2)27(32)30-25-16-17-26(22-11-5-3-6-12-22)31(28(25)33)19-21-10-9-15-24(18-21)34-23-13-7-4-8-14-23/h3-18,20,29H,19H2,1-2H3,(H,30,32)/t20-/m0/s1
InChIKeyDRIZXPSWQXTWQI-FQEVSTJZSA-N
MW453.54 g/mol
LogP4.90
Rot. Bonds8

About (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide

(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide (PubChem CID 15985678) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide
PubChem CID15985678
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccccc3)c2)c1=O
InChIInChI=1S/C28H27N3O3/c1-20(29-2)27(32)30-25-16-17-26(22-11-5-3-6-12-22)31(28(25)33)19-21-10-9-15-24(18-21)34-23-13-7-4-8-14-23/h3-18,20,29H,19H2,1-2H3,(H,30,32)/t20-/m0/s1
InChIKeyDRIZXPSWQXTWQI-FQEVSTJZSA-N
XLogP4.90
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide (CID 15985678) is (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide is CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccccc3)c2)c1=O.
What is the InChIKey of (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide?
The InChIKey is DRIZXPSWQXTWQI-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-20(29-2)27(32)30-25-16-17-26(22-11-5-3-6-12-22)31(28(25)33)19-21-10-9-15-24(18-21)34-23-13-7-4-8-14-23/h3-18,20,29H,19H2,1-2H3,(H,30,32)/t20-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide?
(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide has a molecular weight of 453.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide is sourced from PubChem (CID 15985678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).