N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide

C16H19N7O3 — CID 4526327

IUPACN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCN(c2ncccn2)CC1)c1cnccn1
InChIInChI=1S/C16H19N7O3/c24-11-13(21-14(25)12-10-17-4-5-18-12)15(26)22-6-8-23(9-7-22)16-19-2-1-3-20-16/h1-5,10,13,24H,6-9,11H2,(H,21,25)
InChIKeyJHTCMFXTRMDMDO-UHFFFAOYSA-N
MW357.37 g/mol
LogP-1.29
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide

N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 4526327) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID4526327
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC NameN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCN(c2ncccn2)CC1)c1cnccn1
InChIInChI=1S/C16H19N7O3/c24-11-13(21-14(25)12-10-17-4-5-18-12)15(26)22-6-8-23(9-7-22)16-19-2-1-3-20-16/h1-5,10,13,24H,6-9,11H2,(H,21,25)
InChIKeyJHTCMFXTRMDMDO-UHFFFAOYSA-N
XLogP-1.29
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10906888, Example 113
CID 139580417
N-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 44410107
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
N-[6-(4-Methylpiperazin-1-YL)pyrimidin-4-YL]pyrazine-2-carboxamide
CID 71794816
N-(6-morpholinopyrimidin-4-yl)pyrazine-2-carboxamide
CID 71794856
N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 15954349
US10906888, Example 111
CID 139580313
US10906888, Example 124
CID 139580340
N-[(3S,4S)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 164642551
US10906888, Example 115
CID 139580361
(3-Aminopyrazin-2-yl)(4-(6-aminopyrimidine-4-yl)piperazin-1-yl) methanone
CID 164576231
N-{(3R*,4R*)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl}pyrazine-2-carboxamide
CID 70705766

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide (CID 4526327) is N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide is O=C(NC(CO)C(=O)N1CCN(c2ncccn2)CC1)c1cnccn1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is JHTCMFXTRMDMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c24-11-13(21-14(25)12-10-17-4-5-18-12)15(26)22-6-8-23(9-7-22)16-19-2-1-3-20-16/h1-5,10,13,24H,6-9,11H2,(H,21,25).
What are the key properties of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide?
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 4526327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).