(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

C26H25N5O2 — CID 71462292

IUPAC(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESC[C@H](N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1
InChIInChI=1S/C26H25N5O2/c1-18(22-9-5-6-12-28-22)30-23(15-19-7-3-2-4-8-19)26(33)31-24-16-21(17-29-25(24)32)20-10-13-27-14-11-20/h2-14,16-18,23,30H,15H2,1H3,(H,29,32)(H,31,33)/t18-,23-/m0/s1
InChIKeyVEVPAKZDMBBUDM-MBSDFSHPSA-N
MW439.52 g/mol
LogP3.73
Rot. Bonds8

About (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (PubChem CID 71462292) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
PubChem CID71462292
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESC[C@H](N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1
InChIInChI=1S/C26H25N5O2/c1-18(22-9-5-6-12-28-22)30-23(15-19-7-3-2-4-8-19)26(33)31-24-16-21(17-29-25(24)32)20-10-13-27-14-11-20/h2-14,16-18,23,30H,15H2,1H3,(H,29,32)(H,31,33)/t18-,23-/m0/s1
InChIKeyVEVPAKZDMBBUDM-MBSDFSHPSA-N
XLogP3.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (CID 71462292) is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is C[C@H](N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1.
What is the InChIKey of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The InChIKey is VEVPAKZDMBBUDM-MBSDFSHPSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18(22-9-5-6-12-28-22)30-23(15-19-7-3-2-4-8-19)26(33)31-24-16-21(17-29-25(24)32)20-10-13-27-14-11-20/h2-14,16-18,23,30H,15H2,1H3,(H,29,32)(H,31,33)/t18-,23-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide has a molecular weight of 439.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is sourced from PubChem (CID 71462292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).