2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C17H26N4O — CID 124827519

IUPAC2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCN(CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cnccn1
InChIInChI=1S/C17H26N4O/c1-16(2)12-5-6-17(16,3)13(9-12)20-15(22)11-21(4)14-10-18-7-8-19-14/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,20,22)/t12-,13+,17-/m1/s1
InChIKeyPEXZVTLYKOHGFJ-IIYDPXPESA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds4

About 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 124827519) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID124827519
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCN(CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cnccn1
InChIInChI=1S/C17H26N4O/c1-16(2)12-5-6-17(16,3)13(9-12)20-15(22)11-21(4)14-10-18-7-8-19-14/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,20,22)/t12-,13+,17-/m1/s1
InChIKeyPEXZVTLYKOHGFJ-IIYDPXPESA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 124827519) is 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CN(CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cnccn1.
What is the InChIKey of 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is PEXZVTLYKOHGFJ-IIYDPXPESA-N. The full InChI is InChI=1S/C17H26N4O/c1-16(2)12-5-6-17(16,3)13(9-12)20-15(22)11-21(4)14-10-18-7-8-19-14/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,20,22)/t12-,13+,17-/m1/s1.
What are the key properties of 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrazin-2-yl)amino]-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 124827519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).