N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide

C18H22N6O3 — CID 6724757

IUPACN-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)N[C@@H](CO)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6O3/c25-13-15(22-16(26)12-14-2-6-19-7-3-14)17(27)23-8-10-24(11-9-23)18-20-4-1-5-21-18/h1-7,15,25H,8-13H2,(H,22,26)/t15-/m0/s1
InChIKeyAOGRTEZLINXJAV-HNNXBMFYSA-N
MW370.41 g/mol
LogP-0.76
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide

N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide (PubChem CID 6724757) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide
PubChem CID6724757
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)N[C@@H](CO)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6O3/c25-13-15(22-16(26)12-14-2-6-19-7-3-14)17(27)23-8-10-24(11-9-23)18-20-4-1-5-21-18/h1-7,15,25H,8-13H2,(H,22,26)/t15-/m0/s1
InChIKeyAOGRTEZLINXJAV-HNNXBMFYSA-N
XLogP-0.76
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide
CID 5009580
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-pyridin-4-ylacetamide
CID 6724737
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 5096107
2,3,4,5,6-pentafluoro-N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 6724410
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 4039151
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 6723457
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 51968328
4-chloro-N-[(2S)-4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]pyridine-2-carboxamide
CID 37345713
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
tert-butyl N-[4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate
CID 57169179
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide (CID 6724757) is N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)N[C@@H](CO)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide?
The InChIKey is AOGRTEZLINXJAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-13-15(22-16(26)12-14-2-6-19-7-3-14)17(27)23-8-10-24(11-9-23)18-20-4-1-5-21-18/h1-7,15,25H,8-13H2,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide?
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide has a molecular weight of 370.41 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 6724757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).