(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide

C24H26N4O3 — CID 71462290

IUPAC(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC[C@H]1CCCO1
InChIInChI=1S/C24H26N4O3/c29-23-22(14-19(15-27-23)18-8-10-25-11-9-18)28-24(30)21(13-17-5-2-1-3-6-17)26-16-20-7-4-12-31-20/h1-3,5-6,8-11,14-15,20-21,26H,4,7,12-13,16H2,(H,27,29)(H,28,30)/t20-,21+/m1/s1
InChIKeyYDALGPHHOMGOGC-RTWAWAEBSA-N
MW418.50 g/mol
LogP2.76
Rot. Bonds8

About (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide

(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide (PubChem CID 71462290) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
PubChem CID71462290
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC[C@H]1CCCO1
InChIInChI=1S/C24H26N4O3/c29-23-22(14-19(15-27-23)18-8-10-25-11-9-18)28-24(30)21(13-17-5-2-1-3-6-17)26-16-20-7-4-12-31-20/h1-3,5-6,8-11,14-15,20-21,26H,4,7,12-13,16H2,(H,27,29)(H,28,30)/t20-,21+/m1/s1
InChIKeyYDALGPHHOMGOGC-RTWAWAEBSA-N
XLogP2.76
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide (CID 71462290) is (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The InChIKey is YDALGPHHOMGOGC-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23-22(14-19(15-27-23)18-8-10-25-11-9-18)28-24(30)21(13-17-5-2-1-3-6-17)26-16-20-7-4-12-31-20/h1-3,5-6,8-11,14-15,20-21,26H,4,7,12-13,16H2,(H,27,29)(H,28,30)/t20-,21+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide has a molecular weight of 418.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxolan-2-yl]methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 71462290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).