N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide

C17H14ClN3O — CID 171090409

IUPACN-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCc1cnc(Cl)cn1
InChIInChI=1S/C17H14ClN3O/c18-16-11-19-15(9-20-16)10-21-17(22)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,11H,8,10H2,(H,21,22)
InChIKeyGNQGYVHQSJDQBD-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.14
Rot. Bonds4

About N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide

N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide (PubChem CID 171090409) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
PubChem CID171090409
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCc1cnc(Cl)cn1
InChIInChI=1S/C17H14ClN3O/c18-16-11-19-15(9-20-16)10-21-17(22)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,11H,8,10H2,(H,21,22)
InChIKeyGNQGYVHQSJDQBD-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 171090606
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 155821496
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide (CID 171090409) is N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NCc1cnc(Cl)cn1.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide?
The InChIKey is GNQGYVHQSJDQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-16-11-19-15(9-20-16)10-21-17(22)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,11H,8,10H2,(H,21,22).
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide?
N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide has a molecular weight of 311.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 171090409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).