N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide

C12H17N3O3 — CID 138035218

IUPACN-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NC1(CCO)CCOC1
InChIInChI=1S/C12H17N3O3/c1-9-10(14-5-4-13-9)11(17)15-12(2-6-16)3-7-18-8-12/h4-5,16H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyVJVSWKDTAUVFHV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.06
Rot. Bonds4

About N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide

N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide (PubChem CID 138035218) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide
PubChem CID138035218
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NC1(CCO)CCOC1
InChIInChI=1S/C12H17N3O3/c1-9-10(14-5-4-13-9)11(17)15-12(2-6-16)3-7-18-8-12/h4-5,16H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyVJVSWKDTAUVFHV-UHFFFAOYSA-N
XLogP0.06
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454
4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 119039762
(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide
CID 100680844
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide
CID 138053912
1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea
CID 127932177
N-(3-propyloxolan-3-yl)acetamide
CID 130634427
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-[3-(bromomethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 130948425
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide (CID 138035218) is N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide is Cc1nccnc1C(=O)NC1(CCO)CCOC1.
What is the InChIKey of N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide?
The InChIKey is VJVSWKDTAUVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-10(14-5-4-13-9)11(17)15-12(2-6-16)3-7-18-8-12/h4-5,16H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide?
N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethyl)oxolan-3-yl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 138035218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).