N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide

C17H19N3O3 — CID 156609821

IUPACN-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCOCC1OCc1ccccc1)c1cnccn1
InChIInChI=1S/C17H19N3O3/c21-17(15-10-18-7-8-19-15)20-14-6-9-22-12-16(14)23-11-13-4-2-1-3-5-13/h1-5,7-8,10,14,16H,6,9,11-12H2,(H,20,21)
InChIKeyPJALAKKSSVSVAY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.58
Rot. Bonds5

About N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide

N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide (PubChem CID 156609821) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
PubChem CID156609821
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCOCC1OCc1ccccc1)c1cnccn1
InChIInChI=1S/C17H19N3O3/c21-17(15-10-18-7-8-19-15)20-14-6-9-22-12-16(14)23-11-13-4-2-1-3-5-13/h1-5,7-8,10,14,16H,6,9,11-12H2,(H,20,21)
InChIKeyPJALAKKSSVSVAY-UHFFFAOYSA-N
XLogP1.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
CID 156609597
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 91787671
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
CID 91775793
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide (CID 156609821) is N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide is O=C(NC1CCOCC1OCc1ccccc1)c1cnccn1.
What is the InChIKey of N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide?
The InChIKey is PJALAKKSSVSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(15-10-18-7-8-19-15)20-14-6-9-22-12-16(14)23-11-13-4-2-1-3-5-13/h1-5,7-8,10,14,16H,6,9,11-12H2,(H,20,21).
What are the key properties of N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide?
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 156609821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).