5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide

C16H17N3O2 — CID 99835394

IUPAC5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(c2ccccc2)[C@H]2CCOC2)cn1
InChIInChI=1S/C16H17N3O2/c1-12-9-18-15(10-17-12)16(20)19(14-7-8-21-11-14)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1
InChIKeyBVGBAXCXRSBLIJ-AWEZNQCLSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds3

About 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide

5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide (PubChem CID 99835394) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide
PubChem CID99835394
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(c2ccccc2)[C@H]2CCOC2)cn1
InChIInChI=1S/C16H17N3O2/c1-12-9-18-15(10-17-12)16(20)19(14-7-8-21-11-14)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1
InChIKeyBVGBAXCXRSBLIJ-AWEZNQCLSA-N
XLogP2.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide (CID 99835394) is 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(c2ccccc2)[C@H]2CCOC2)cn1.
What is the InChIKey of 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is BVGBAXCXRSBLIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-9-18-15(10-17-12)16(20)19(14-7-8-21-11-14)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide?
5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-oxolan-3-yl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 99835394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).