N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide

C22H22N8O — CID 91488299

IUPACN-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
SMILESCCc1nnnn1-c1cc(C(=O)NCc2cnc(N)cn2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C22H22N8O/c1-3-21-27-28-29-30(21)19-9-16(15-6-4-14(2)5-7-15)8-17(10-19)22(31)26-12-18-11-25-20(23)13-24-18/h4-11,13H,3,12H2,1-2H3,(H2,23,25)(H,26,31)
InChIKeyAXIZAKODNPLKSG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.50
Rot. Bonds6

About N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide

N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide (PubChem CID 91488299) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
PubChem CID91488299
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
SMILESCCc1nnnn1-c1cc(C(=O)NCc2cnc(N)cn2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C22H22N8O/c1-3-21-27-28-29-30(21)19-9-16(15-6-4-14(2)5-7-15)8-17(10-19)22(31)26-12-18-11-25-20(23)13-24-18/h4-11,13H,3,12H2,1-2H3,(H2,23,25)(H,26,31)
InChIKeyAXIZAKODNPLKSG-UHFFFAOYSA-N
XLogP2.50
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
CID 91341752
3-(5-ethyltetrazol-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)benzamide
CID 122640785
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate
CID 122635658
3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)benzoic acid
CID 69004448
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate
CID 122505888
N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 42642279
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377
[3-[5-[(1S)-1-methoxyethyl]tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 122635629
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
CID 76643078
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505838
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 122505918
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757

Frequently Asked Questions

What is the IUPAC name of N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
The IUPAC name of N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide (CID 91488299) is N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
The canonical SMILES for N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide is CCc1nnnn1-c1cc(C(=O)NCc2cnc(N)cn2)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
The InChIKey is AXIZAKODNPLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-3-21-27-28-29-30(21)19-9-16(15-6-4-14(2)5-7-15)8-17(10-19)22(31)26-12-18-11-25-20(23)13-24-18/h4-11,13H,3,12H2,1-2H3,(H2,23,25)(H,26,31).
What are the key properties of N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide?
N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide has a molecular weight of 414.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 91488299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).