N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide

C20H24N8O2 — CID 126448833

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
SMILESCc1cnc(CNC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)cn1
InChIInChI=1S/C20H24N8O2/c1-15-11-22-17(12-21-15)13-23-18(29)14-28-20(24-25-26-28)19(16-5-3-2-4-6-16)27-7-9-30-10-8-27/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,23,29)/t19-/m1/s1
InChIKeyCGEQHAZCTWJMIR-LJQANCHMSA-N
MW408.47 g/mol
LogP0.51
Rot. Bonds7

About N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide

N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide (PubChem CID 126448833) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
PubChem CID126448833
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
SMILESCc1cnc(CNC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)cn1
InChIInChI=1S/C20H24N8O2/c1-15-11-22-17(12-21-15)13-23-18(29)14-28-20(24-25-26-28)19(16-5-3-2-4-6-16)27-7-9-30-10-8-27/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,23,29)/t19-/m1/s1
InChIKeyCGEQHAZCTWJMIR-LJQANCHMSA-N
XLogP0.51
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 119069503
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
CID 86285524
N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 86284396
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126425349
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
ethyl 4-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]benzoate
CID 7242064
2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 70734854
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116
4-[(S)-phenyl-[1-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]tetrazol-5-yl]methyl]morpholine
CID 95047119
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide (CID 126448833) is N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide is Cc1cnc(CNC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is CGEQHAZCTWJMIR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-15-11-22-17(12-21-15)13-23-18(29)14-28-20(24-25-26-28)19(16-5-3-2-4-6-16)27-7-9-30-10-8-27/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,23,29)/t19-/m1/s1.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 408.47 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 126448833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).