N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide

C11H17N3O3 — CID 54916099

IUPACN-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N3O3/c1-8(2)14(4-3-5-15)11(17)9-6-13-10(16)7-12-9/h6-8,15H,3-5H2,1-2H3,(H,13,16)
InChIKeyNEVSAWZPNXGZDH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.00
Rot. Bonds5

About N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide

N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide (PubChem CID 54916099) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
PubChem CID54916099
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N3O3/c1-8(2)14(4-3-5-15)11(17)9-6-13-10(16)7-12-9/h6-8,15H,3-5H2,1-2H3,(H,13,16)
InChIKeyNEVSAWZPNXGZDH-UHFFFAOYSA-N
XLogP0.00
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide (CID 54916099) is N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide is CC(C)N(CCCO)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
The InChIKey is NEVSAWZPNXGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)14(4-3-5-15)11(17)9-6-13-10(16)7-12-9/h6-8,15H,3-5H2,1-2H3,(H,13,16).
What are the key properties of N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 54916099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).