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

C24H23N5O2S — CID 70684556

IUPAC(2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCc1cc(-c2c[nH]c(=O)c(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1
InChIInChI=1S/C24H23N5O2S/c1-16-9-18(7-8-25-16)19-11-22(23(30)27-12-19)29-24(31)21(10-17-5-3-2-4-6-17)26-13-20-14-32-15-28-20/h2-9,11-12,14-15,21,26H,10,13H2,1H3,(H,27,30)(H,29,31)/t21-/m0/s1
InChIKeyCPBSLAZOCYUNLG-NRFANRHFSA-N
MW445.55 g/mol
LogP3.54
Rot. Bonds8

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

(2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 70684556) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID70684556
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name(2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCc1cc(-c2c[nH]c(=O)c(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1
InChIInChI=1S/C24H23N5O2S/c1-16-9-18(7-8-25-16)19-11-22(23(30)27-12-19)29-24(31)21(10-17-5-3-2-4-6-17)26-13-20-14-32-15-28-20/h2-9,11-12,14-15,21,26H,10,13H2,1H3,(H,27,30)(H,29,31)/t21-/m0/s1
InChIKeyCPBSLAZOCYUNLG-NRFANRHFSA-N
XLogP3.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 70684556) is (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is Cc1cc(-c2c[nH]c(=O)c(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1.
What is the InChIKey of (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is CPBSLAZOCYUNLG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-16-9-18(7-8-25-16)19-11-22(23(30)27-12-19)29-24(31)21(10-17-5-3-2-4-6-17)26-13-20-14-32-15-28-20/h2-9,11-12,14-15,21,26H,10,13H2,1H3,(H,27,30)(H,29,31)/t21-/m0/s1.
What are the key properties of (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 445.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 70684556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).