(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

C23H21N5O2S — CID 70682472

IUPAC(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C23H21N5O2S/c29-22-21(11-18(12-26-22)17-6-8-24-9-7-17)28-23(30)20(10-16-4-2-1-3-5-16)25-13-19-14-31-15-27-19/h1-9,11-12,14-15,20,25H,10,13H2,(H,26,29)(H,28,30)/t20-/m0/s1
InChIKeyVYEODKODWNEGOD-FQEVSTJZSA-N
MW431.52 g/mol
LogP3.23
Rot. Bonds8

About (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 70682472) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID70682472
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C23H21N5O2S/c29-22-21(11-18(12-26-22)17-6-8-24-9-7-17)28-23(30)20(10-16-4-2-1-3-5-16)25-13-19-14-31-15-27-19/h1-9,11-12,14-15,20,25H,10,13H2,(H,26,29)(H,28,30)/t20-/m0/s1
InChIKeyVYEODKODWNEGOD-FQEVSTJZSA-N
XLogP3.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 70682472) is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1.
What is the InChIKey of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is VYEODKODWNEGOD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21N5O2S/c29-22-21(11-18(12-26-22)17-6-8-24-9-7-17)28-23(30)20(10-16-4-2-1-3-5-16)25-13-19-14-31-15-27-19/h1-9,11-12,14-15,20,25H,10,13H2,(H,26,29)(H,28,30)/t20-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 431.52 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 70682472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).